SCHEMBL8654452

SCHEMBL8654452

NS(=O)(=O)c1ccc(C2=C(c3ccc(CO)cc3)CCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.72
CA2 P00918 3/20 0.68
CA12 O43570 2/20 0.68
CA1 P00915 2/20 0.68
CA4 P22748 2/20 0.68
CA6 P23280 2/20 0.68
CA5A P35218 2/20 0.68
CA7 P43166 2/20 0.68
CA9 Q16790 2/20 0.68
CA14 Q9ULX7 2/20 0.68
CA5B Q9Y2D0 2/20 0.68
PTGS1 P23219 13/20 0.64

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
SCHEMBL5893183 0.84 CA2 (0.88) PTGS2CA2CA12CA1CA4
SCHEMBL8655486 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL1009797 0.82 CA2 (1.00) PTGS2CA2CA12CA1CA4
SCHEMBL8384889 0.81 PTGS2 (0.64) PTGS2CA2CA12CA1CA4
SCHEMBL8383904 0.81 PTGS2 (0.68) PTGS2CA2CA12CA1CA4
SCHEMBL8652225 0.80 PTGS2 (0.76) PTGS2CA2CA12CA1CA9
SCHEMBL8388629 0.80 PTGS2 (0.67) PTGS2CA2CA12CA1CA4
SCHEMBL8653562 0.80 PTGS2 (0.72) PTGS2CA2CA12CA1CA4
SCHEMBL6725808 0.78 CA2 (0.75) PTGS2CA2CA12CA1CA4
SCHEMBL214185 0.78 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724566-B1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1998-10-07 EP claimed
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP claimed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO claimed
EP-0724566-B1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1998-10-07 EP disclosed
US-5663180-A ANTIARTHRITIC, ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-09-02 US disclosed
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