SCHEMBL7757135

SCHEMBL7757135

CCCCCCCCCCCCCC(=O)OP(=O)([O-])OC(=O)CCCCCCCCCCCCC.[Na+]

nearest known ligand 0.52

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 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.52
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
LMNA P02545 2/20 0.48
LPAR1 Q92633 3/20 0.48
LPAR4 Q99677 3/20 0.48
LPAR2 Q9HBW0 3/20 0.48
LPAR3 Q9UBY5 3/20 0.48
PAM P19021 2/20 0.47
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
LPAR6 P43657 2/20 0.44
LPAR5 Q9H1C0 2/20 0.44
TSHR P16473 2/20 0.44
ENPP2 Q13822 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL3917799 0.90 DGKA (0.53) DGKACES2CES1LMNALPAR1
SCHEMBL28261297 0.90 DGKA (0.53) DGKACES2CES1LMNALPAR1
SCHEMBL4817492 0.90 FABP3 (0.56) LMNALPAR1LPAR4LPAR2LPAR3
SCHEMBL28072529 0.89 DGKA (0.52) DGKACES2CES1LMNALPAR1
Potassium Ion SCHEMBL7213636 0.89 DGKA (0.52) DGKACES2CES1LMNALPAR1
SCHEMBL8975164 0.89 DGKA (0.52) DGKACES2CES1LMNALPAR1
SCHEMBL3113144 0.87 DGKA (0.50) DGKACES2CES1LMNALPAR1
SCHEMBL15122459 0.87 DGKA (0.43) DGKACES2CES1LMNALPAR1
Choline SCHEMBL5069270 0.84 SMN1; SMN2 (0.49) LMNAMAPTMAPK1TSHR
SCHEMBL669205 0.82 DGKA (0.57) DGKACES2CES1LMNAPAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706798-B1 Pharmaceutical composition containing biologically active peptide or protein SANWA KAGAKU KENKYUSHO CO (JP) 2001-03-28 EP disclosed
EP-0706798-A1 Pharmaceutical composition containing biologically active peptide or protein SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1996-04-17 EP disclosed