SCHEMBL11699136

SCHEMBL11699136

CCCCCCCC/C=C\CCCCCCCCOC(=O)CS(=O)(=O)[O-].[Na+]

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.46
FAAH O00519 3/20 0.56
EPHX2 P34913 3/20 0.50
NAAA Q02083 1/20 0.49
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
CNR1 P21554 1/20 0.46
FABP3 P05413 2/20 0.45

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
SCHEMBL121777 0.91 NAAA (0.58) FAAHEPHX2NAAAALDH1A1
SCHEMBL8423143 0.91 NAAA (0.58) FAAHEPHX2NAAAALDH1A1
SCHEMBL11701087 0.91 NAAA (0.58) FAAHEPHX2NAAAALDH1A1
SCHEMBL11699296 0.91 NAAA (0.58) FAAHEPHX2NAAAALDH1A1
SCHEMBL6839071 0.91 NAAA (0.58) FAAHEPHX2NAAAALDH1A1
SCHEMBL7560266 0.91 NAAA (0.58) FAAHEPHX2NAAAALDH1A1
Potassium Ion SCHEMBL6116073 0.88 NAAA (0.58) FAAHEPHX2NAAA
Potassium Ion SCHEMBL6116219 0.88 NAAA (0.58) FAAHEPHX2NAAA
Sulfuric Acid SCHEMBL4447458 0.85 DGKA (0.57) FAAHMGLLALDH1A1MAPTTHRB
Sulfuric Acid SCHEMBL325125 0.85 DGKA (0.57) FAAHMGLLALDH1A1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4009254-A UNSYMMETRICAL ETHERS; SUNSCREEN AGENTS COLGATE-PALMOLIVE COMPANY (US) 1977-02-22 US disclosed