SCHEMBL9508410

SCHEMBL9508410

CCCCCCCCCCCCCCCCOCC(CN(CCP(=O)(O)O)C(=O)CCCCCCCCCCCCCCC)P(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.46
PLA2G2C Q5R387 1/20 0.45
LPAR5 Q9H1C0 4/20 0.43
LPAR3 Q9UBY5 8/20 0.42
LPAR1 Q92633 5/20 0.42
HTT P42858 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
LPAR2 Q9HBW0 4/20 0.38
TLR2 O60603 3/20 0.38
LPAR6 P43657 3/20 0.37
LPAR4 Q99677 3/20 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
SCHEMBL9700871 0.90 S1PR1 (0.44) LPAR3LPAR1S1PR1
SCHEMBL9506889 0.90 LPAR5 (0.52) PLA2G2DPLA2G2CLPAR5LPAR3LPAR1
SCHEMBL2639401 0.90 LPAR5 (0.52) PLA2G2DPLA2G2CLPAR5LPAR3LPAR1
SCHEMBL9506992 0.90 LPAR5 (0.43) PLA2G2DPLA2G2CLPAR5LPAR3LPAR1
SCHEMBL9510777 0.85 PLA2G2C (0.41) PLA2G2DPLA2G2CLPAR5LPAR3LPAR1
SCHEMBL9509205 0.83 PLA2G2D (0.42) PLA2G2DPLA2G2CLPAR5LPAR3LPAR1
SCHEMBL9417204 0.76 LPAR5 (0.50) PLA2G2DPLA2G2CLPAR5LPAR3LPAR1
SCHEMBL9417156 0.76 LPAR5 (0.50) PLA2G2DPLA2G2CLPAR5LPAR3LPAR1
SCHEMBL9509222 0.75 LPAR5 (0.47) PLA2G2CLPAR5LPAR3LPAR1HTT
SCHEMBL2497008 0.75 USP2 (0.53) PLA2G2CLPAR5LPAR3LPAR1HTT

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-0555250-A1 COSMETIC COMPOSITION UNILEVER PLC (GB) 1993-08-18 EP disclosed
WO-1992006982-A1 COSMETIC COMPOSITION UNILEVER PLC (GB) 1992-04-30 WO disclosed