SCHEMBL9079765

SCHEMBL9079765

COC(=O)c1cc(C(=O)O)c(C(=O)N(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
LPAR1 Q92633 14/20 0.51
LPAR5 Q9H1C0 10/20 0.51
PTGES O14684 1/20 0.48
LPAR3 Q9UBY5 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
SCHEMBL9082040 1.00 TSHR (0.54) TSHRTDP1LPAR1LPAR5PTGES
SCHEMBL9082523 1.00 TSHR (0.54) TSHRTDP1LPAR1LPAR5PTGES
SCHEMBL9082326 1.00 TSHR (0.54) TSHRTDP1LPAR1LPAR5PTGES
SCHEMBL9081132 1.00 TSHR (0.54) TSHRTDP1LPAR1LPAR5PTGES
SCHEMBL9080301 1.00 TSHR (0.54) TSHRTDP1LPAR1LPAR5PTGES
SCHEMBL9080371 0.91 TSHR (0.55) TSHRTDP1LPAR1LPAR5
SCHEMBL9080531 0.91 TSHR (0.55) TSHRTDP1LPAR1LPAR5
SCHEMBL9081215 0.91 TSHR (0.55) TSHRTDP1LPAR1LPAR5
SCHEMBL9081721 0.91 TSHR (0.55) TSHRTDP1LPAR1LPAR5
SCHEMBL9081031 0.90 TSHR (0.53) TSHRTDP1LPAR1LPAR5

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