SCHEMBL9166758

SCHEMBL9166758

CCCCCCCCCCCCCC(=O)C(OP(=O)(O)OCCN)[C@H](CO)OC(=O)CCCCCCCCCCCOC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.43
LPAR3 Q9UBY5 4/20 0.43
LPAR1 Q92633 3/20 0.43
LPAR6 P43657 1/20 0.43
LPAR4 Q99677 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
FABP3 P05413 1/20 0.39
P2RY10 O00398 4/20 0.39
GPR34 Q9UPC5 2/20 0.39
ENPP2 Q13822 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9951988 0.91 S1PR1 (0.49) LPAR1DAGLAP2RY10GPR34
SCHEMBL2340054 0.91 S1PR1 (0.49) LPAR1DAGLAP2RY10GPR34
SCHEMBL17595343 0.91 S1PR1 (0.49) LPAR1DAGLAP2RY10GPR34
SCHEMBL18554683 0.89 PLA2G2C (0.40) PLA2G2CLPAR3LPAR1LPAR6LPAR4
SCHEMBL9951272 0.88 S1PR1 (0.54) MAPTDAGLAP2RY10GPR34
SCHEMBL479264 0.88 S1PR1 (0.54) MAPTDAGLAP2RY10GPR34
SCHEMBL9951800 0.88 S1PR1 (0.53) MAPTDAGLA
SCHEMBL19616499 0.88 S1PR1 (0.53) MAPTDAGLA
SCHEMBL8632106 0.86 S1PR1 (0.52) MAPTDAGLAP2RY10
SCHEMBL4737508 0.86 PLA2G2C (0.45) PLA2G2CP2RY10GPR34

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
EP-0636134-A1 NOVEL ACYLATED PHOSPHOLIPID DRUGS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-02-01 EP disclosed