Water

Water

SCHEMBL9250180

CCCCCCCCCCCCC(Cc1ccccc1)C(C)(C)N.O

nearest known ligand 0.54

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 10)

geneUniProtsupporting neighboursconfidence
MMP1 known ✓ P03956 9/20 0.41
HTR2A known ✓ P28223 1/20 0.41
MEN1 known ✓ O00255 1/20 0.40
MMP7 known ✓ P09237 4/20 0.39
CSNK1E P49674 1/20 0.54
MMP2 P08253 14/20 0.41
MMP3 P08254 9/20 0.41
HTT P42858 2/20 0.40
KCNH2 Q12809 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Water SCHEMBL3690850 1.00 CSNK1E (0.54) CSNK1EMMP2MMP1MMP3HTR2A
Water SCHEMBL11427418 1.00 CSNK1E (0.54) CSNK1EMMP2MMP1MMP3HTR2A
Water SCHEMBL8603492 1.00 CSNK1E (0.54) CSNK1EMMP2MMP1MMP3HTR2A
Water SCHEMBL11424585 1.00 CSNK1E (0.54) CSNK1EMMP2MMP1MMP3HTR2A
Water SCHEMBL7737072 1.00 CSNK1E (0.54) CSNK1EMMP2MMP1MMP3HTR2A
Water SCHEMBL9246720 1.00 CSNK1E (0.54) CSNK1EMMP2MMP1MMP3HTR2A
Water SCHEMBL11440397 1.00 CSNK1E (0.54) CSNK1EMMP2MMP1MMP3HTR2A
Hydrochloric Acid SCHEMBL2365630 0.98 CSNK1E (0.52) CSNK1EMMP2MMP1MMP3HTR2A
Hydrochloric Acid SCHEMBL9495482 0.98 CSNK1E (0.52) CSNK1EMMP2MMP1MMP3HTR2A
Hydrochloric Acid SCHEMBL8317407 0.98 CSNK1E (0.52) CSNK1EMMP2MMP1MMP3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200142314-A1 Lithography Patterning Technique TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2020-05-07 US claimed
US-20170242341-A1 Lithography Patterning Technique TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2017-08-24 US claimed
US-9645497-B2 Lithography patterning technique TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2017-05-09 US claimed
US-4374042-A QUATERNARY AMMONIUM COMPOUND AND AN ORGANIC IONIC COMPOUND UOP INC. (US) 1983-02-15 US claimed
US-4308169-A TREATMENT WITH AQUEOUS SOLUTION OF QUATERNARY AMMONIUM COMPOUND AND LINEAR IONIC COMPOUND UOP INC. (US) 1981-12-29 US claimed
US-4299729-A TREATING WITH AN AMMONIACAL SOLUTION OF A METAL CHELATE AND AN AQUEOUS SOLUTION OF A QUATERNARY AMMONIUM COMPOUND UOP INC. (US) 1981-11-10 US claimed
US-4260479-A Catalytic oxidation of mercaptan in sour petroleum distillate UOP INC. (US) 1981-04-07 US claimed
US-4213877-A Method of reactivating a catalytic composite of an adsorptive carrier material and a mercaptan oxidation catalyst UOP INC. (US) 1980-07-22 US claimed
US-4206079-A Catalytic composite particularly useful for the oxidation of mercaptans contained in a sour petroleum distillate UOP INC. (US) 1980-06-03 US claimed
US-4203827-A Process for treating sour petroleum distillates UOP INC. (US) 1980-05-20 US claimed
US-11774855-B2 Lithography patterning technique TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2023-10-03 US disclosed
WO-2021162070-A1 METHOD FOR PRODUCING MONOMER FOR NUCLEIC ACID PRODUCTION 東レ株式会社 2021-08-19 WO disclosed
US-20200142314-A1 Lithography Patterning Technique TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2020-05-07 US disclosed
US-10062657-B2 Method for manufacturing alloy bump ISHIHARA CHEMICAL CO., LTD. (JP) 2018-08-28 US disclosed
US-20170330850-A1 METHOD FOR MANUFACTURING ALLOY BUMP ISHIHARA CHEMICAL CO., LTD. (JP) 2017-11-16 US disclosed
US-4290917-A Method of manufacturing a catalytic composite UOP INC. (US) 1981-09-22 US disclosed
US-4290913-A Catalytic composite useful for the treatment of mercaptan-containing sour petroleum distillate UOP INC. (US) 1981-09-22 US disclosed
US-4290916-A MOLECULAR SEIVES, QUATERNARY AMMONIUM COMPOUND, CHELATE, ALKALI METAL HYDROXIDE UOP INC. (US) 1981-09-22 US disclosed
US-4260479-A Catalytic oxidation of mercaptan in sour petroleum distillate UOP INC. (US) 1981-04-07 US disclosed
US-4206079-A Catalytic composite particularly useful for the oxidation of mercaptans contained in a sour petroleum distillate UOP INC. (US) 1980-06-03 US disclosed