SCHEMBL19979596

SCHEMBL19979596

CCCCCCCC/C=C\CCCCCCCCOP(=O)(O)CN(CCO)CP(=O)(OCCCCCCCC/C=C\CCCCCCCC)OCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 11/20 0.51
LPAR2 Q9HBW0 9/20 0.51
LPAR1 Q92633 7/20 0.51
P2RY10 O00398 1/20 0.40
ENPP2 Q13822 1/20 0.39

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
SCHEMBL20045049 0.94 LPAR3 (0.54) LPAR3LPAR2LPAR1P2RY10
SCHEMBL19979611 0.87 LPAR3 (0.47) LPAR3LPAR2LPAR1P2RY10
SCHEMBL19979602 0.85 LPAR3 (0.45) LPAR3LPAR2LPAR1P2RY10
Trolamine SCHEMBL4931824 0.82 LPAR3 (0.72) LPAR3LPAR2LPAR1ENPP2
Trolamine SCHEMBL4931834 0.82 LPAR3 (0.72) LPAR3LPAR2LPAR1ENPP2
SCHEMBL19979608 0.82 LPAR3 (0.46) LPAR3LPAR2LPAR1
SCHEMBL19979597 0.80 CYP3A4 (0.45) LPAR3LPAR2LPAR1
SCHEMBL29791453 0.80 LPAR3 (0.68) LPAR3LPAR2LPAR1ENPP2
SCHEMBL20049675 0.79 LPAR3 (0.42) LPAR3LPAR2LPAR1
Trolamine SCHEMBL21633803 0.78 LPAR3 (0.53) LPAR3LPAR2LPAR1P2RY10

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
WO-2018053407-A1 NOVEL AMINOBISPHOSPHONATE ANTIWEAR ADDITIVES AFTON CHEMICAL CORPORATION (US) 2018-03-22 WO disclosed