SCHEMBL8974202

SCHEMBL8974202

COCc1ccc(C2=CCC=C2c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.50
CA1 P00915 12/20 0.50
CA12 O43570 11/20 0.50
CA9 Q16790 11/20 0.50
PTGS2 P35354 2/20 0.49
CA7 P43166 5/20 0.46
CA14 Q9ULX7 5/20 0.45
CA4 P22748 3/20 0.42
CA5A P35218 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
CA6 P23280 2/20 0.42
PTGS1 P23219 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL8974242 0.87 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL11118926 0.84 CA2 (0.68) CA2CA1CA12CA9CA7
SCHEMBL8974176 0.83 CA2 (0.68) CA2CA1CA12CA9PTGS2
SCHEMBL8974562 0.80 CA2 (0.68) CA2CA1CA12CA9PTGS2
SCHEMBL8974217 0.80 PTGS2 (0.63) CA2CA1CA12CA9PTGS2
SCHEMBL9117391 0.80 PTGS2 (0.47) CA2CA1CA12CA9PTGS2
SCHEMBL9117624 0.80 PTGS2 (0.47) CA2CA1CA12CA9PTGS2
SCHEMBL8652225 0.79 PTGS2 (0.76) CA2CA1CA12CA9PTGS2
SCHEMBL6732071 0.79 CA2 (0.57) CA2CA1CA12CA9PTGS2
SCHEMBL8974305 0.78 CA2 (0.64) CA2CA1CA12CA9PTGS2

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