SCHEMBL8632133

SCHEMBL8632133

CC=Cn1cc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.55
PTGS1 P23219 1/20 0.49

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
SCHEMBL7779315 0.89 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7772800 0.89 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7779834 0.89 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7777679 0.88 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7773338 0.85 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7780680 0.85 PTGS2 (0.47) PTGS2
SCHEMBL7780601 0.82 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL7779957 0.80 CSNK1D (0.65) PTGS2PTGS1
SCHEMBL7779948 0.78 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7772843 0.78 CA9 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US disclosed