SCHEMBL8974749

SCHEMBL8974749

CCC1C=C(c2ccc(F)cc2)C(c2ccc(S(C)(=O)=O)cc2)=C1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.54
PTGS1 P23219 8/20 0.54

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
SCHEMBL8973777 0.88 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8974245 0.86 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8974314 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8974698 0.86 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8974074 0.84 PTGS2 (0.54) PTGS2
SCHEMBL8974256 0.82 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8974297 0.82 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8974112 0.80 CDK9 (0.37) PTGS2PTGS1
SCHEMBL8974629 0.78 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7395459 0.77 PTGS2 (0.74) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
WO-1995030656-A1 SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed