SCHEMBL9080906

SCHEMBL9080906

O=C(O)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 14/20 0.58
LPAR5 Q9H1C0 13/20 0.58
POLB P06746 1/20 0.53
STAT3 P40763 2/20 0.53
PTGES O14684 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL9080525 0.93 LPAR1 (0.58) LPAR1LPAR5POLBPTGES
SCHEMBL9081181 0.91 POLB (0.56) LPAR1LPAR5POLBSTAT3PTGES
SCHEMBL9081195 0.91 LPAR1 (0.57) LPAR1LPAR5STAT3PTGESTSHR
SCHEMBL9081830 0.91 LPAR1 (0.57) LPAR1LPAR5STAT3PTGESTSHR
SCHEMBL9081224 0.90 POLB (0.55) LPAR1LPAR5POLBSTAT3PTGES
SCHEMBL9080814 0.88 POLB (0.51) LPAR1LPAR5POLBSTAT3PTGES
SCHEMBL9079915 0.87 LPAR1 (0.58) LPAR1LPAR5
SCHEMBL9081236 0.87 LPAR1 (0.53) LPAR1LPAR5STAT3
SCHEMBL9081215 0.87 TSHR (0.55) LPAR1LPAR5STAT3TSHR
SCHEMBL9080371 0.87 TSHR (0.55) LPAR1LPAR5STAT3TSHR

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