Water

Water

SCHEMBL7112149

CC(O)C(O)CCO.O

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL14147255 0.97
SCHEMBL290709 0.97
SCHEMBL15619029 0.80 THRB (0.46)
SCHEMBL18533728 0.79 ALDH1A1 (0.39)
SCHEMBL2278577 0.79
SCHEMBL8655511 0.79 THRB (0.36)
SCHEMBL17867300 0.79 THRB (0.36)
SCHEMBL3949692 0.79 THRB (0.36)
SCHEMBL283758 0.79 THRB (0.36)
SCHEMBL17866824 0.79 THRB (0.36)

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-9265716-B2 Hoya carnosa extracts and methods of use AVON PRODUCTS, INC. (US) 2016-02-23 US disclosed
US-9186316-B2 Stephanotis jasminoides extracts and methods of use AVON PRODUCTS, INC. (US) 2015-11-17 US disclosed
US-9168283-B2 Medemia nobilis extracts and methods of use AVON PRODUCTS, INC. (US) 2015-10-27 US disclosed
US-20150290119-A1 Stephanotis Jasminoides Extracts and Methods of Use AVON PRODUCTS, INC. (US) 2015-10-15 US disclosed
US-20150290118-A1 Hoya Carnosa Extracts and Methods of Use AVON PRODUCTS, INC. (US) 2015-10-15 US disclosed
US-20150164776-A1 Callistephus Chinensis Extracts and Methods of Use AVON PRODUCTS, INC. 2015-06-18 US disclosed
US-8999403-B2 Serissa japonica extracts and methods of use AVON PRODUCTS, INC. (US) 2015-04-07 US disclosed
US-8865231-B2 Hoya carnosa extracts and methods of use AVON PRODUCTS, INC. (US) 2014-10-21 US disclosed
US-20140301962-A1 Serissa Japonica Extracts and Methods of Use AVON PRODUCTS, INC. 2014-10-09 US disclosed
US-20140161911-A1 Hoya Carnosa Extracts and Methods of Use AVON PRODUCTS, INC. (US) 2014-06-12 US disclosed
US-20140161909-A1 Medemia Nobilis Extracts and Methods of Use AVON PRODUCTS, INC. (US) 2014-06-12 US disclosed
EP-1348421-A2 A method of thickening and styling human keratinous fibres using a particular catalytic system L'OREAL (FR) 2003-10-01 EP disclosed
EP-0486499-B1 STABLE ASCORBIC ACID COMPOSITIONS UNIV DUKE (US) 1997-08-06 EP disclosed