SCHEMBL9080314

SCHEMBL9080314

CCOc1ccccc1CN(Cc1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1)C(=O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 14/20 0.50
LPAR5 Q9H1C0 11/20 0.50
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.44
LPAR3 Q9UBY5 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9080294 0.95 LPAR1 (0.52) LPAR1LPAR5KDM4EALDH1A1SMN1; SMN2
SCHEMBL9081278 0.89 LPAR1 (0.48) LPAR1LPAR5KDM4EALDH1A1SMN1; SMN2
SCHEMBL9080794 0.87 LPAR1 (0.47) LPAR1LPAR5KDM4EALDH1A1SMN1; SMN2
SCHEMBL29842627 0.87 LPAR1 (0.47) LPAR1LPAR5KDM4EALDH1A1SMN1; SMN2
SCHEMBL9081536 0.86 LPAR1 (0.47) LPAR1LPAR5KDM4EALDH1A1SMN1; SMN2
SCHEMBL9082575 0.85 LPAR1 (0.56) LPAR1LPAR5LPAR3
SCHEMBL9079713 0.84 STAT3 (0.51) LPAR1LPAR5LPAR3
SCHEMBL9081773 0.84 LPAR1 (0.53) LPAR1LPAR5TSHRLPAR3TDP1
SCHEMBL9081561 0.83 LPAR1 (0.44) LPAR1LPAR5KDM4EALDH1A1SMN1; SMN2
SCHEMBL9081632 0.83 LPAR1 (0.53) LPAR1LPAR5KDM4ETSHRLPAR3

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