Water

Water

SCHEMBL9893341

CC(C)Cc1nccn1CC(C)C.O

nearest known ligand 0.40

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 11)

geneUniProtsupporting neighboursconfidence
ADRA2C known ✓ P18825 1/20 0.34
BRD4 O60885 1/20 0.40
GAA P10253 1/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 2/20 0.30
DYRK1A Q13627 1/20 0.30
LMNA P02545 1/20 0.30
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL15969910 0.98 BRD4 (0.41) BRD4GAAPOLBADRA2CSMN1; SMN2
SCHEMBL17897203 0.82 GAA (0.42) GAAPOLBADRA2CSMN1; SMN2ALDH1A1
SCHEMBL2638232 0.82 KCNH2 (0.42) BRD4GAAPOLBADRA2CSMN1; SMN2
SCHEMBL27670108 0.81 BRD4 (0.40) BRD4GAAPOLBADRA2CSMN1; SMN2
SCHEMBL5656262 0.81 KCNH2 (0.41) BRD4GAAPOLBADRA2CSMN1; SMN2
SCHEMBL25067253 0.79 ALDH1A1 (0.42) BRD4GAAPOLBADRA2CSMN1; SMN2
Hydrochloric Acid SCHEMBL5657547 0.79 BRD4 (0.39) BRD4GAAPOLBADRA2CSMN1; SMN2
SCHEMBL10147185 0.79 KCNH2 (0.45) BRD4GAAPOLBALDH1A1KMT2A
SCHEMBL23043971 0.78 GAA (0.42) BRD4GAASMN1; SMN2ALDH1A1KCNH2
SCHEMBL28699417 0.78 ALDH1A1 (0.39) BRD4GAAPOLBADRA2CSMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4631914-A2 DELAMINATED LAYERED ZEOLITE PRECURSORS AND METHOD OF PREPARING SAME WITHOUT SONICATION Chevron U.S.A. Inc. (US) 2025-10-15 EP disclosed
EP-4529493-A1 ONE-POT SYNTHESIS FOR DELAMINATED ZEOLITES Chevron U.S.A. Inc. (US) 2025-04-02 EP disclosed
CN-119255866-A One pot synthesis of layered zeolite 雪佛龙美国公司 2025-01-03 CN disclosed
CN-111699156-B Layered zeolite precursors and methods of making same without sonication 雪佛龙美国公司 2023-12-15 CN disclosed
WO-2023230093-A1 ONE-POT SYNTHESIS FOR DELAMINATED ZEOLITES CHEVRON U.S.A. INC. (US) 2023-11-30 WO disclosed
US-20230372912-A1 ONE-POT SYNTHESIS FOR DELAMINATED ZEOLITES CHEVRON U.S.A. INC. (US) 2023-11-23 US disclosed
US-11389788-B2 Delaminated layered zeolite precursors and method of preparing same without sonication CHEVRON U.S.A. INC. (US) 2022-07-19 US disclosed
EP-3752461-A1 DELAMINATED LAYERED ZEOLITE PRECURSORS AND METHOD OF PREPARING SAME WITHOUT SONICATION Chevron U.S.A., Inc. (US) 2020-12-23 EP disclosed
CN-111699156-A Layered zeolite precursors and process for their preparation without sonication 雪佛龙美国公司 2020-09-22 CN disclosed
US-20190247838-A1 DELAMINATED LAYERED ZEOLITE PRECURSORS AND METHOD OF PREPARING SAME WITHOUT SONICATION CHEVRON U.S.A. INC. (US) 2019-08-15 US disclosed
US-9718049-B2 Oxide materials and synthesis by fluoride/chloride anion promoted exfoliation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-01 US disclosed
US-9718048-B2 Oxide materials and synthesis by fluoride/chloride anion promoted exfoliation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-01 US disclosed
US-9522390-B2 Oxide materials and synthesis by fluoride/chloride anion promoted exfoliation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-20 US disclosed
US-20150118147-A1 NOVEL OXIDE MATERIALS AND SYNTHESIS BY FLUORIDE/CHLORIDE ANION PROMOTED EXFOLIATION CHEVRON U.S.A. INC. (US) 2015-04-30 US disclosed
US-20150118148-A1 NOVEL OXIDE MATERIALS AND SYNTHESIS BY FLUORIDE/CHLORIDE ANION PROMOTED EXFOLIATION CHEVRON U.S.A. INC. (US) 2015-04-30 US disclosed
EP-2648844-A1 NOVEL OXIDE MATERIAL AND SYNTHESIS BY FLUORIDE/CHLORIDE ANION PROMOTED EXFOLIATION The Regents Of The University Of California (US) 2013-10-16 EP disclosed
WO-2012078900-A1 NOVEL OXIDE MATERIAL AND SYNTHESIS BY FLUORIDE/CHLORIDE ANION PROMOTED EXFOLIATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-14 WO disclosed
US-20120148487-A1 NOVEL OXIDE MATERIALS AND SYNTHESIS BY FLUORIDE/CHLORIDE ANION PROMOTED EXFOLIATION CHEVRON U.S.A. INC. (US) 2012-06-14 US disclosed