SCHEMBL8974296

SCHEMBL8974296

CS(=O)(=O)c1ccc(C2=CCC=C2c2ccc(Cl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.60
PTGS1 P23219 6/20 0.57
RORC P51449 1/20 0.44

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
SCHEMBL8974187 0.84 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8974116 0.84 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8974446 0.84 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8974890 0.84 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8974499 0.84 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8974226 0.83 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8974473 0.83 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL5052857 0.82 PTGS2 (0.74) PTGS2PTGS1RORC
SCHEMBL8974192 0.82 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8974060 0.82 PTGS2 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995030656-A1 SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO claimed
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