SCHEMBL9082783

SCHEMBL9082783

O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.79
▸ TAS2R14 Q9NYV8 16/20 0.62
▸ CXCR3 P49682 2/20 0.62
▸ TAS2R8 Q9NYW2 1/20 0.62
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ DAGLA Q9Y4D2 1/20 0.57

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
SCHEMBL9082262 0.92 PTGES (0.68) PTGESTAS2R14CXCR3TAS2R8MEN1
SCHEMBL9081179 0.81 PTGES (0.59) PTGES
SCHEMBL11821964 0.80 TAS2R14 (0.65) PTGESTAS2R14CXCR3TAS2R8MEN1
SCHEMBL11816296 0.80 TAS2R14 (0.65) PTGESTAS2R14CXCR3TAS2R8MEN1
SCHEMBL9080942 0.79 PTGES (0.56) PTGES
SCHEMBL9081270 0.79 LPAR1 (0.63) PTGES
SCHEMBL1278788 0.78 TAS2R14 (0.97) PTGESTAS2R14CXCR3TAS2R8MEN1
SCHEMBL1169926 0.77 TAS2R14 (1.00) PTGESTAS2R14CXCR3TAS2R8MEN1
SCHEMBL1278846 0.77 TAS2R14 (1.00) PTGESTAS2R14CXCR3TAS2R8MEN1
SCHEMBL1278616 0.76 TAS2R14 (1.00) PTGESTAS2R14CXCR3TAS2R8MEN1

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
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