SCHEMBL9081978

SCHEMBL9081978

O=CNc1cc(C(=O)O)cc(C(=O)N(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 19/20 0.53
▸ LPAR5 Q9H1C0 17/20 0.52
▸ PTGES O14684 1/20 0.46
▸ LPAR3 Q9UBY5 1/20 0.46

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
SCHEMBL9081270 0.88 LPAR1 (0.63) LPAR1LPAR5PTGES
SCHEMBL9081322 0.85 LPAR1 (0.55) LPAR1LPAR5PTGES
SCHEMBL9082353 0.83 LPAR1 (0.59) LPAR1LPAR5
SCHEMBL9229173 0.83 HDAC1 (0.62) LPAR1LPAR5
SCHEMBL9081391 0.83 LPAR1 (0.53) LPAR1LPAR5PTGES
SCHEMBL9080591 0.82 LPAR1 (0.57) LPAR1LPAR5PTGES
SCHEMBL9082212 0.81 ALDH1A1 (0.58) LPAR1LPAR5PTGES
SCHEMBL9080884 0.81 LPAR1 (0.64) LPAR1LPAR5PTGES
SCHEMBL9079600 0.79 LPAR1 (0.56) LPAR1LPAR5PTGESLPAR3
SCHEMBL9081843 0.77 LPAR1 (0.50) LPAR1LPAR5PTGESLPAR3

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
Send feedback