SCHEMBL9080655

SCHEMBL9080655

O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2ccccc2)Cc2cccc(Oc3ccccc3)c2)cc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.60
P2RX3 P56373 2/20 0.56
P2RX2 Q9UBL9 2/20 0.56
ALOX5 P09917 2/20 0.54
LPAR1 Q92633 7/20 0.51
LPAR5 Q9H1C0 6/20 0.51
TSHR P16473 3/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL9081215 0.92 TSHR (0.55) LPAR1LPAR5TSHRKDM4E
SCHEMBL9080371 0.92 TSHR (0.55) LPAR1LPAR5TSHRKDM4E
SCHEMBL9080531 0.92 TSHR (0.55) LPAR1LPAR5TSHRKDM4E
SCHEMBL9081721 0.92 TSHR (0.55) LPAR1LPAR5TSHRKDM4E
SCHEMBL9081031 0.90 TSHR (0.53) LPAR1LPAR5TSHR
SCHEMBL9080108 0.88 LPAR1 (0.54) PTGESLPAR1LPAR5TSHR
SCHEMBL9080350 0.88 LPAR1 (0.54) PTGESP2RX3P2RX2LPAR1LPAR5
SCHEMBL9080525 0.87 LPAR1 (0.58) PTGESP2RX3P2RX2ALOX5LPAR1
SCHEMBL9080843 0.86 TSHR (0.53) LPAR1LPAR5TSHRKDM4E
SCHEMBL9080541 0.86 TSHR (0.53) LPAR1LPAR5TSHRKDM4E

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