SCHEMBL8627715

SCHEMBL8627715

CCCCC/C=C\C/C=C\CCCCCCCC(=O)C(OP(=O)(O)OCCN)[C@H](CO)OO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CNR1 P21554 1/20 0.44
SELP P16109 1/20 0.43
KDM4E B2RXH2 2/20 0.42
SOAT1 P35610 1/20 0.42
P2RY10 O00398 4/20 0.41
GPR34 Q9UPC5 1/20 0.41
GPR55 Q9Y2T6 2/20 0.41
FABP3 P05413 1/20 0.41

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
SCHEMBL8628861 0.97 P2RY10 (0.43) S1PR1P2RY10GPR34
SCHEMBL9951880 0.91 PLA2G2C (0.45) P2RY10GPR34
SCHEMBL4737508 0.91 PLA2G2C (0.45) P2RY10GPR34
SCHEMBL9951445 0.91 PLA2G2C (0.45) P2RY10GPR34
SCHEMBL479264 0.91 S1PR1 (0.54) S1PR1ALDH1A1MAPTTHRBCNR1
SCHEMBL9951272 0.91 S1PR1 (0.54) S1PR1ALDH1A1MAPTTHRBCNR1
SCHEMBL19616499 0.90 S1PR1 (0.53) S1PR1ALDH1A1MAPTTHRBCNR1
SCHEMBL9951800 0.90 S1PR1 (0.53) S1PR1ALDH1A1MAPTTHRBCNR1
SCHEMBL16964730 0.88 P2RY10 (0.43) S1PR1P2RY10GPR34
SCHEMBL8632106 0.88 S1PR1 (0.52) S1PR1ALDH1A1MAPTTHRBCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0845981-A1 COMPOSITIONS COMPRISING CATIONIC AMPHIPHILES AND CO-LIPIDS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES GENZYME CORPORATION (US) 1998-06-10 EP claimed
WO-1997046223-A1 COMPOSITIONS COMPRISING CATIONIC AMPHIPHILES AND CO-LIPIDS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES GENZYME CORPORATION (US) 1997-12-11 WO claimed
WO-2012143514-A1 METHOD FOR THE DIAGNOSIS OF LIVER INJURY BASED ON A METABOLOMIC PROFILE ASOCIACIÓN CENTRO DE INVESTIGACIÓN COOPERATIVA EN BIOCIENCIAS-CIC BIOGUNE (ES) 2012-10-26 WO disclosed