SCHEMBL8974473

SCHEMBL8974473

CS(=O)(=O)c1ccc(C2=CCC=C2c2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.63
PTGS1 P23219 7/20 0.59

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
SCHEMBL8974142 0.89 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8974382 0.87 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8974226 0.87 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8974763 0.86 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8974318 0.84 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8974652 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8974296 0.83 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8055957 0.83 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL9118503 0.82 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL8974589 0.82 KIF11 (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 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