SCHEMBL9080669

SCHEMBL9080669

Cc1ccc(Oc2cccc(CN(CCOc3ccccc3)C(=O)c3cc(C(=O)O)c(C(=O)O)cc3C(=O)O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.48
LPAR5 Q9H1C0 4/20 0.48
PTGES O14684 2/20 0.47
FFAR1 O14842 1/20 0.47
P2RX3 P56373 2/20 0.46
P2RX2 Q9UBL9 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
SLC2A1 P11166 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9082563 0.87 LPAR1 (0.49) LPAR1LPAR5PPARG
SCHEMBL9080720 0.84 TSHR (0.50) LPAR1ALOX5KDM4EALDH1A1
SCHEMBL9080655 0.82 PTGES (0.60) LPAR1LPAR5PTGESP2RX3P2RX2
SCHEMBL9080794 0.82 LPAR1 (0.47) LPAR1LPAR5PTGESFFAR1P2RX3
SCHEMBL29842627 0.82 LPAR1 (0.47) LPAR1LPAR5PTGESFFAR1P2RX3
SCHEMBL9082619 0.82 LPAR1 (0.51) LPAR1LPAR5PPARG
SCHEMBL9082788 0.81 LPAR1 (0.53) LPAR1LPAR5PTGESP2RX3P2RX2
SCHEMBL9080350 0.81 LPAR1 (0.54) LPAR1LPAR5PTGESP2RX3P2RX2
SCHEMBL9080108 0.81 LPAR1 (0.54) LPAR1LPAR5PTGESFFAR1
SCHEMBL9081269 0.78 LPAR1 (0.54) LPAR1LPAR5

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