SCHEMBL5314130

SCHEMBL5314130

CCCOc1ccc(-c2cc(C)cn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.62
CA1 P00915 6/20 0.62
CA2 P00918 6/20 0.62
CA7 P43166 4/20 0.62
CA12 O43570 4/20 0.62
TSHR P16473 1/20 0.55
CHRNA7 P36544 6/20 0.52
PTGS2 P35354 6/20 0.49
PTGS1 P23219 2/20 0.49
CA14 Q9ULX7 1/20 0.47
ALDH1A1 P00352 1/20 0.45

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
Apricoxib SCHEMBL346028 0.90 CA1 (0.60) CA9CA1CA2CA7CA12
Apricoxib SCHEMBL3435344 0.90 CA1 (0.60) CA9CA1CA2CA7CA12
SCHEMBL347479 0.84 CA1 (0.59) CA9CA1CA2CA7CA12
SCHEMBL2463842 0.84 CA1 (0.59) CA9CA1CA2CA7CA12
SCHEMBL347020 0.82 PTGS2 (0.58) CA9CA1CA2CA7CA12
SCHEMBL5312529 0.82 PTGS2 (0.58) CA9CA1CA2CA7CA12
SCHEMBL5595956 0.79 CA1 (1.00) CA9CA1CA2CA7CA12
SCHEMBL27466126 0.79 CA1 (0.54) CA9CA1CA2CA7CA12
SCHEMBL2841663 0.79 PTGS2 (0.60) CA9CA1CA2CA7CA12
SCHEMBL5309196 0.78 CHRNA7 (0.66) CA9CA1CA2CA12CHRNA7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
CN-1151126-C 1, 2-diphenylpyrrole derivatives, their preparation and their therapeutic uses ������������ʽ���� 2004-05-26 CN disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
CN-1168372-A 1, 2-diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1997-12-24 CN disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed