SCHEMBL8993401

SCHEMBL8993401

NS(=O)(=O)c1ccc(C2=C(c3ccccc3Cl)CCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.68
PTGS1 P23219 15/20 0.68
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL8651467 0.83 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8653562 0.82 PTGS2 (0.72) PTGS2PTGS1CA1CA2
SCHEMBL215545 0.81 PTGS2 (1.00) PTGS2PTGS1CA1CA2
SCHEMBL28820907 0.81 PTGS2 (0.73) PTGS2PTGS1CA1CA2
SCHEMBL8653419 0.81 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8657828 0.81 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8652581 0.79 PTGS2 (1.00) PTGS2PTGS1CA1CA2
SCHEMBL8651341 0.77 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8652856 0.75 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL213507 0.75 PTGS2 (1.00) 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
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed