Water

Water

SCHEMBL20489337

CC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O.O.O

nearest known ligand 0.64

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 6)

geneUniProtsupporting neighboursconfidence
ACE known ✓ P12821 10/20 0.64
MME P08473 9/20 0.64
CPA1 P15085 2/20 0.64
ACE2 Q9BYF1 2/20 0.64
FOLH1 Q04609 1/20 0.62
NAALAD2 Q9Y3Q0 1/20 0.55

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 SCHEMBL20489335 1.00 ACE (0.64) ACEMMECPA1ACE2FOLH1
Water SCHEMBL29167818 1.00 ACE (0.64) ACEMMECPA1ACE2FOLH1
Water SCHEMBL29167823 1.00 ACE (0.64) ACEMMECPA1ACE2FOLH1
Water SCHEMBL29167825 1.00 ACE (0.64) ACEMMECPA1ACE2FOLH1
Water SCHEMBL29167817 1.00 ACE (0.64) ACEMMECPA1ACE2FOLH1
Water SCHEMBL29167821 1.00 ACE (0.64) ACEMMECPA1ACE2FOLH1
Water SCHEMBL29167819 1.00 ACE (0.64) ACEMMECPA1ACE2FOLH1
Water SCHEMBL20495306 1.00 ACE (0.64) ACEMMECPA1ACE2FOLH1
SCHEMBL4073351 0.98 ACE (0.65) ACEMMECPA1ACE2FOLH1
SCHEMBL31287928 0.98 ACE (0.65) ACEMMECPA1ACE2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250154529-A1 SERUM-FREE SUSPENSION SYSTEM FOR LENTIVIRAL PRODUCTION LIFE TECHNOLOGIES CORP (US) 2025-05-15 US claimed
CN-117624282-A Selective crystallization method of alanyl-L-tyrosine hydrate 武汉桀升生物科技有限公司 2024-03-01 CN claimed
US-20220348964-A1 SERUM-FREE SUSPENSION SYSTEM FOR LENTIVIRAL PRODUCTION Life Technologies Corporation 2022-11-03 US claimed
US-20250064706-A1 PHOTOSTABILIZED COMPOSITIONS AND A METHOD FOR STABILIZING PHOTOSENSITIVE COMPONENTS EVONIK OPERATIONS GMBH (DE) 2025-02-27 US disclosed
US-20240218320-A1 PHOTOSTABILIZED COMPOSITIONS AND A METHOD FOR STABILIZING PHOTOSENSITIVE COMPONENTS EVONIK OPERATIONS GMBH (DE) 2024-07-04 US disclosed
CN-110418837-B Culture medium comprising oligopeptides 赢创运营有限公司 2024-04-02 CN disclosed
CN-117624282-A Selective crystallization method of alanyl-L-tyrosine hydrate 武汉桀升生物科技有限公司 2024-03-01 CN disclosed
EP-4302837-A2 PHOTOSTABILIZED COMPOSITIONS AND A METHOD FOR STABILIZING PHOTOSENSITIVE COMPONENTS Evonik Operations GmbH (DE) 2024-01-10 EP disclosed
EP-4294532-A1 PHOTOSTABILIZED COMPOSITIONS AND A METHOD FOR STABILIZING PHOTOSENSITIVE COMPONENTS Evonik Operations GmbH (DE) 2023-12-27 EP disclosed
WO-2023217405-A1 PHOTOSTABILIZED COMPOSITIONS AND A METHOD FOR STABILIZING PHOTOSENSITIVE COMPONENTS EVONIK OPERATIONS GMBH (DE) 2023-11-16 WO disclosed
EP-3372671-B1 CULTURE MEDIUM COMPRISING OLGOPEPTIDES EVONIK OPERATIONS GMBH (DE) 2021-11-03 EP disclosed
WO-2018162346-A1 CULTURE MEDIUM COMPRISING OLIGOPEPTIDES EVONIK TECHNOCHEMIE GMBH (DE) 2018-09-13 WO disclosed
EP-3372671-A1 CULTURE MEDIUM COMPRISING OLGOPEPTIDES Evonik Technochemie GmbH (DE) 2018-09-12 EP disclosed