SCHEMBL9717065

SCHEMBL9717065

CCCCCCCCCCCCOCC(O)C[S+](CC)CCCP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 4/20 0.53
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.46
LPAR3 Q9UBY5 10/20 0.43
LPAR1 Q92633 7/20 0.43
LPAR2 Q9HBW0 5/20 0.42
P2RY10 O00398 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
LPAR6 P43657 3/20 0.38
LPAR4 Q99677 3/20 0.38
PLA2G2C Q5R387 1/20 0.38
S1PR2 O95136 3/20 0.37
S1PR4 O95977 3/20 0.37
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 3/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL9717069 0.90 LPAR5 (0.51) LPAR5USP2HTTLPAR3LPAR1
Phosphoric Acid SCHEMBL4001206 0.88 LPAR5 (0.57) LPAR5USP2HTTLPAR3LPAR1
SCHEMBL81078 0.86 LPAR5 (0.63) LPAR5USP2HTTLPAR3LPAR1
SCHEMBL1569048 0.83 USP2 (0.57) LPAR5USP2HTTLPAR3LPAR1
Phosphoric Acid SCHEMBL29623968 0.81 LPAR5 (0.49) LPAR5USP2HTTLPAR3LPAR1
SCHEMBL1086081 0.78 LPAR5 (0.65) LPAR5USP2HTTLPAR3LPAR1
SCHEMBL1086079 0.78 LPAR5 (0.65) LPAR5USP2HTTLPAR3LPAR1
SCHEMBL80315 0.73 LPAR5 (0.55) LPAR5USP2HTTLPAR3LPAR1
SCHEMBL4523337 0.73 LPAR5 (0.66) LPAR5USP2HTTLPAR3LPAR1
SCHEMBL4241993 0.72 LPAR3 (0.68) LPAR5HTTLPAR3LPAR1LPAR2

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-5147574-A Potassium fatty acid salt, fatty acid, water THE PROCTER & GAMBLE COMPANY (US) 1992-09-15 US disclosed