SCHEMBL9118034

SCHEMBL9118034

CS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(Br)c(Cl)c2)CC3)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.71
PTGS1 P23219 7/20 0.71

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
SCHEMBL9119462 0.89 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL9119151 0.89 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL9117137 0.88 PTGS1 (0.55) PTGS2PTGS1
SCHEMBL9118503 0.85 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL9115856 0.85 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL9117182 0.84 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL9117782 0.84 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL9118100 0.83 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL9117120 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL9117979 0.83 PTGS1 (0.51) PTGS2PTGS1

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-1995030652-A1 SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed