SCHEMBL9080554

SCHEMBL9080554

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.49
LPAR5 Q9H1C0 3/20 0.49
FFAR1 O14842 3/20 0.49
POLB P06746 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
PTGES O14684 1/20 0.46
LTB4R2 Q9NPC1 2/20 0.46
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
NR3C1 P04150 1/20 0.44
FDFT1 P37268 2/20 0.44
SRD5A2 P31213 1/20 0.44
STAT3 P40763 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44

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
SCHEMBL9081184 0.88 NR3C1 (0.49) LPAR1LPAR5POLBPTGESNR3C1
SCHEMBL9079799 0.82 POLB (0.51) LPAR1LPAR5FFAR1POLBPTGES
SCHEMBL9081339 0.81 LPAR1 (0.45) LPAR1LPAR5FFAR1POLBPTGES
SCHEMBL9080906 0.80 LPAR1 (0.58) LPAR1LPAR5POLBPTGESSTAT3
SCHEMBL9081408 0.80 POLB (0.50) LPAR1LPAR5POLBPTGESNR3C1
SCHEMBL9080531 0.79 TSHR (0.55) LPAR1LPAR5NR3C1STAT3
SCHEMBL9080371 0.79 TSHR (0.55) LPAR1LPAR5NR3C1STAT3
SCHEMBL9081215 0.79 TSHR (0.55) LPAR1LPAR5NR3C1STAT3
SCHEMBL9081721 0.79 TSHR (0.55) LPAR1LPAR5NR3C1STAT3
SCHEMBL9081660 0.79 NR3C1 (0.44) LPAR1LPAR5POLBPTGESLTB4R2

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