SCHEMBL9280698

SCHEMBL9280698

O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2ccc(Oc3ccccc3)cc2)Cc2ccccc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 14/20 0.49
LPAR5 Q9H1C0 14/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
STAT3 P40763 2/20 0.42
TSHR P16473 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
SCHEMBL9081031 0.86 TSHR (0.53) LPAR1LPAR5STAT3TSHR
SCHEMBL9080531 0.85 TSHR (0.55) LPAR1LPAR5STAT3TSHR
SCHEMBL9081721 0.85 TSHR (0.55) LPAR1LPAR5STAT3TSHR
SCHEMBL9080371 0.85 TSHR (0.55) LPAR1LPAR5STAT3TSHR
SCHEMBL9081215 0.85 TSHR (0.55) LPAR1LPAR5STAT3TSHR
SCHEMBL9082575 0.84 LPAR1 (0.56) LPAR1LPAR5
SCHEMBL9081637 0.83 LPAR1 (0.54) LPAR1LPAR5STAT3TSHR
SCHEMBL9278728 0.83 MEN1 (0.54) LPAR1LPAR5MEN1KMT2ATSHR
SCHEMBL9080302 0.81 HDAC1 (0.54) LPAR1LPAR5STAT3TSHR
SCHEMBL9081773 0.81 LPAR1 (0.53) LPAR1LPAR5MEN1KMT2ATSHR

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