SCHEMBL9115540

SCHEMBL9115540

Cc1csc(C2=CC3(C=C2c2ccc(S(C)(=O)=O)cn2)CCC3)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.37
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
GCK P35557 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
ALOX5AP P20292 2/20 0.30

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
SCHEMBL9243102 0.98 GHSR (0.37) GHSRPTGS2PTGS1GCKPTGDR2
SCHEMBL9118390 0.96 PTGS2 (0.39) GHSRPTGS2PTGS1GCKPTGDR2
SCHEMBL9117292 0.90 GHSR (0.37) GHSRPTGS2GCKALOX5AP
SCHEMBL9116916 0.86 GHSR (0.38) GHSRPTGS2PTGS1GCK
SCHEMBL9118488 0.83 PTGS2 (0.53) GHSRPTGS2PTGS1
SCHEMBL9117225 0.81 PTGS2 (0.50) PTGS2PTGS1ALOX5AP
SCHEMBL9117616 0.81 PTGS2 (0.53) GHSRPTGS2PTGS1
SCHEMBL9119692 0.79 PIK3CD (0.36) PTGS2PTGS1ALOX5AP
SCHEMBL9242947 0.78 PTGS2 (0.50) PTGS2PTGS1ALOX5AP
SCHEMBL8389237 0.78 PTGS2 (0.44) GHSRPTGS2PTGS1PTGDR2

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