SCHEMBL9252479

SCHEMBL9252479

CC(C)CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.38

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 8)

geneUniProtsupporting neighboursconfidence
FUT7 Q11130 1/20 0.35
RECQL P46063 1/20 0.35
NAAA Q02083 1/20 0.33
RARB P10826 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL313158 1.00 FUT7 (0.35) FUT7RECQLNAAARARBMAPT
SCHEMBL14957008 1.00 FUT7 (0.35) FUT7RECQLNAAARARBMAPT
SCHEMBL6008566 1.00 FUT7 (0.35) FUT7RECQLNAAARARBMAPT
SCHEMBL8585503 0.97 RECQL (0.35) FUT7RECQLNAAARARBMAPT
Potassium Ion SCHEMBL31047241 0.97 RECQL (0.35) FUT7RECQLNAAARARBMAPT
Potassium Ion SCHEMBL17706821 0.97 RECQL (0.35) FUT7RECQLNAAARARBMAPT
SCHEMBL11051177 0.94 RECQL (0.37) FUT7RECQLMAPTMAPK1NPSR1
SCHEMBL19385406 0.90 FUT7 (0.35) FUT7RECQLNAAARARB
SCHEMBL9064455 0.89 FUT7 (0.38) FUT7RARB
SCHEMBL1275498 0.89 FUT7 (0.38) FUT7RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378780-A DISCONTINUOUS POLYMERIZATION IN THE PRESENCE OF AN EFFECTIVE AMOUNT OF A MONOMER SOLUBLE CATALYST AND A PREDISPERSION OF AN EMULSIFIER, AN ALKANOL AND WATER HULS AKTIENGESELLSCHAFT (DE) 1995-01-03 US claimed
US-4631324-A EMULSIFIER SYSTEM OF SULFONATE AND FATTY ALCOHOL HUELS AKTIENGESELLSCHAFT (DE) 1986-12-23 US claimed
US-5378780-A DISCONTINUOUS POLYMERIZATION IN THE PRESENCE OF AN EFFECTIVE AMOUNT OF A MONOMER SOLUBLE CATALYST AND A PREDISPERSION OF AN EMULSIFIER, AN ALKANOL AND WATER HULS AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-4631324-A EMULSIFIER SYSTEM OF SULFONATE AND FATTY ALCOHOL HUELS AKTIENGESELLSCHAFT (DE) 1986-12-23 US disclosed