SCHEMBL9633360

SCHEMBL9633360

COc1ccc(S(N)(=O)=O)cc1CC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ CA2 P00918 6/20 0.52
▸ CA1 P00915 4/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ CA12 O43570 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ PTGS1 P23219 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ CA7 P43166 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL3784815 0.88 GAA (0.53) GAACA2CA1CA9CA12
SCHEMBL1808168 0.83 GAA (0.54) GAACA2CA1CA9CA12
SCHEMBL7901708 0.82 GAA (0.52) GAACA2CA1CA9CA12
SCHEMBL2851142 0.81 GAA (0.51) GAACA2CA1CA9CA12
SCHEMBL1808166 0.81 GAA (0.51) GAACA2CA1CA9CA12
SCHEMBL1808414 0.80 GAA (0.51) GAACA2CA1CA9CA12
SCHEMBL11516151 0.80 GAA (0.50) GAACA2CA1CA9CA12
Trimethylammonium SCHEMBL2972670 0.79 GAA (0.50) GAACA2CA1CA9CA12
SCHEMBL7904729 0.78 CA2 (0.50) GAACA2CA1CA9CA12
SCHEMBL1808413 0.78 GAA (0.49) GAACA2CA1CA9CA12

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
EP-0331943-B1 PHENOXYETHYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR EXHIBITING EXCELLENT ALPHA-1-BLOCKING ACTIVITY CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1992-06-17 — — EP disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 — — US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 — — EP disclosed
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