SCHEMBL9082005

SCHEMBL9082005

O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2ccc(Oc3ccccc3)cc2)Cc2cccnc2)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.51
GRM2 Q14416 2/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KCNA5 P22460 1/20 0.48
NAMPT P43490 1/20 0.47
TSHR P16473 2/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LPAR1 Q92633 5/20 0.45
LPAR5 Q9H1C0 5/20 0.45
ALKBH5 Q6P6C2 1/20 0.45
PSMB5 P28074 1/20 0.45

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
SCHEMBL9080371 0.89 TSHR (0.55) TSHRTDP1LPAR1LPAR5
SCHEMBL9081215 0.89 TSHR (0.55) TSHRTDP1LPAR1LPAR5
SCHEMBL9080531 0.89 TSHR (0.55) TSHRTDP1LPAR1LPAR5
SCHEMBL9081721 0.89 TSHR (0.55) TSHRTDP1LPAR1LPAR5
SCHEMBL9080493 0.88 KDM4C (0.52) KDM4CTSHRKMT2AHTTTDP1
SCHEMBL9081031 0.88 TSHR (0.53) TSHRTDP1LPAR1LPAR5
SCHEMBL9080843 0.84 TSHR (0.53) TSHRTDP1LPAR1LPAR5
SCHEMBL9080541 0.84 TSHR (0.53) TSHRTDP1LPAR1LPAR5
SCHEMBL9080784 0.83 TSHR (0.59) TSHRTDP1LPAR1LPAR5
SCHEMBL9080511 0.83 TSHR (0.59) 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