SCHEMBL9080895

SCHEMBL9080895

O=C(O)c1cc(C(=O)O)c(C(=O)N(CCCc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)cc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 19/20 0.62
LPAR3 Q9UBY5 1/20 0.61
LPAR5 Q9H1C0 5/20 0.58
LPAR2 Q9HBW0 1/20 0.55

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
SCHEMBL9079973 0.96 LPAR1 (0.59) LPAR1LPAR3LPAR5LPAR2
SCHEMBL9081131 0.94 LPAR1 (0.64) LPAR1LPAR3LPAR5
SCHEMBL9082102 0.94 LPAR1 (0.64) LPAR1LPAR3LPAR5
SCHEMBL9081215 0.90 TSHR (0.55) LPAR1LPAR5
SCHEMBL9080371 0.90 TSHR (0.55) LPAR1LPAR5
SCHEMBL9080531 0.90 TSHR (0.55) LPAR1LPAR5
SCHEMBL9081721 0.90 TSHR (0.55) LPAR1LPAR5
SCHEMBL9082619 0.89 LPAR1 (0.51) LPAR1LPAR3LPAR5
SCHEMBL9081031 0.88 TSHR (0.53) LPAR1LPAR5
SCHEMBL9081263 0.86 LPAR1 (0.61) LPAR1LPAR3LPAR5LPAR2

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-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed