Water

Water

SCHEMBL4330613

O.O.O=C(O)c1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR known ✓ P00374 1/20 0.54
MEN1 known ✓ O00255 1/20 0.47
SLC6A2 known ✓ P23975 1/20 0.47
SLC6A4 known ✓ P31645 1/20 0.47
DRD3 known ✓ P35462 1/20 0.47
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GFER P55789 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
ACMSD Q8TDX5 4/20 0.54
MCL1 Q07820 4/20 0.54
HNF4A P41235 2/20 0.54
ALDH1A1 P00352 2/20 0.50
CFD P00746 1/20 0.50
ALOX15 P16050 1/20 0.50
LCK P06239 1/20 0.50
CYP1A2 P05177 1/20 0.50
HSD17B10 Q99714 2/20 0.48
CDC25A P30304 1/20 0.48
CDC25B P30305 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30690397 0.97 KMT2A (0.62) KMT2AKDM4EGFERRXFP1ACMSD
SCHEMBL33365 0.97 KMT2A (0.62) KMT2AKDM4EGFERRXFP1ACMSD
SCHEMBL30690398 0.97 KMT2A (0.62) KMT2AKDM4EGFERRXFP1ACMSD
SCHEMBL4449185 0.95 KMT2A (0.60) KMT2AKDM4EGFERRXFP1ACMSD
Hydrochloric Acid SCHEMBL893804 0.95 KMT2A (0.60) KMT2AKDM4EGFERRXFP1ACMSD
Hydrochloric Acid SCHEMBL17491114 0.95 KMT2A (0.60) KMT2AKDM4EGFERRXFP1ACMSD
SCHEMBL277684 0.95 KMT2A (0.60) KMT2AKDM4EGFERRXFP1ACMSD
Methane SCHEMBL19809365 0.95 KMT2A (0.60) KMT2AKDM4EGFERRXFP1ACMSD
Benzene SCHEMBL3623695 0.95 KMT2A (0.60) KMT2AKDM4EGFERRXFP1ACMSD
SCHEMBL9550353 0.95 KMT2A (0.60) KMT2AKDM4EGFERRXFP1ACMSD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10330615-A None JP disclosed
WO-2020130261-A1 CROSSLINKING AGENT COMPOUND, PHOTOSENSITIVE COMPOSITION INCLUDING SAME, AND PHOTOSENSITIVE MATERIAL USING SAME 주식회사 엘지화학 2020-06-25 WO disclosed
EP-3275940-B1 ENERGY-SENSITIVE RESIN COMPOSITION TOKYO OHKA KOGYO CO LTD (JP) 2019-12-18 EP disclosed
US-10257938-B2 Surface-treated copper foil, copper foil with carrier, substrate, resin substrate, printed wiring board, copper clad laminate and method for producing printed wiring board JX NIPPON MINING & METALS CORPORATION (JP) 2019-04-09 US disclosed
US-20180279482-A1 SURFACE-TREATED COPPER FOIL, COPPER FOIL WITH CARRIER, SUBSTRATE, RESIN SUBSTRATE, PRINTED WIRING BOARD, COPPER CLAD LAMINATE AND METHOD FOR PRODUCING PRINTED WIRING BOARD JX NIPPON MINING & METALS CORPORATION (JP) 2018-09-27 US disclosed
US-9955583-B2 Surface-treated copper foil, copper foil with carrier, substrate, resin substrate, printed wiring board, copper clad laminate and method for producing printed wiring board JX NIPPON MINING & METALS CORPORATION (JP) 2018-04-24 US disclosed
US-20160183380-A1 SURFACE-TREATED COPPER FOIL, COPPER FOIL WITH CARRIER, SUBSTRATE, RESIN SUBSTRATE, PRINTED WIRING BOARD, COPPER CLAD LAMINATE AND METHOD FOR PRODUCING PRINTED WIRING BOARD JX NIPPON MINING & METALS CORPORATION (JP) 2016-06-23 US disclosed
US-20160157356-A1 SURFACE-TREATED COPPER FOIL, COPPER FOIL WITH CARRIER, SUBSTRATE, RESIN SUBSTRATE, PRINTED WIRING BOARD, COPPER CLAD LAMINATE AND METHOD FOR PRODUCING PRINTED WIRING BOARD JX NIPPON MINING & METALS CORPORATION (JP) 2016-06-02 US disclosed
EP-3026144-A1 SURFACE-TREATED COPPER FOIL, COPPER FOIL WITH CARRIER, SUBSTRATE, RESIN SUBSTRATE, PRINTED CIRCUIT BOARD, COPPER-CLAD LAMINATE, AND METHOD FOR MANUFACTURING PRINTED CIRCUIT BOARD JX Nippon Mining & Metals Corp. (JP) 2016-06-01 EP disclosed
EP-3026145-A1 TREATED SURFACE COPPER FOIL, COPPER FOIL WITH CARRIER, SUBSTRATE, RESIN SUBSTRATE, PRINTED CIRCUIT BOARD, COPPER CLAD LAMINATE, AND PRINTED CIRCUIT BOARD MANUFACTURING METHOD JX Nippon Mining & Metals Corporation (JP) 2016-06-01 EP disclosed
US-6706841-B2 RECURRING UNITS OF AN AROMATIC TETRACARBOXYLIC ACID, AN AROMATIC AMINE AND AMINO FUNCTIONALIZED POLYSILOXANE, A (METH) ACRYLIC COMPOUND, AND A POLYMERIZATION INITIATOR HAS FLUIDITY AT 25 DEGREES C SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-03-16 US disclosed
US-6605366-B2 Metal film/aromatic polymide film laminate UBE INDUSTRIES, LTD. (JP) 2003-08-12 US disclosed
US-20020188069-A1 Solventless polyimide silicone resin compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-12-12 US disclosed
EP-1258509-A1 Solventless polyimide silicone resin compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-11-20 EP disclosed
US-6440576-B1 Metal plated aromatic polyimide film UBE INDUSTRIES, LTD. (JP) 2002-08-27 US disclosed
US-20010010860-A1 Metal film/aromatic polymide film laminate UBE INDUSTRIES, LTD. 2001-08-02 US disclosed
US-6129982-A HIGH HEAT RESISTANCE, LOW ELECTROCONDUCTIVITY, AND HIGH BONDING STRENGTH, USED FOR ELECTRONICS; ALUMINUM OR ALUMINUM OXIDE LAYERS ON BOTH SIDE OF AROMATIC POLYIMIDE FILM UBE INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
EP-0981268-A1 Circuit board with an electronic component mounted thereon and multi-layer board NITTO DENKO CORPORATION (JP) 2000-02-23 EP disclosed
EP-0919593-A1 Aromatic polyimide film having improved adhesion UBE INDUSTRIES, LTD. (JP) 1999-06-02 EP disclosed
JP-H10330615-A SOLUTION OF AROMATIC POLYAMIC ACID UBE IND LTD 1998-12-15 JP disclosed