SCHEMBL9683336

SCHEMBL9683336

NCCCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 20/20 0.77
CA1 P00915 13/20 0.77
CA12 O43570 8/20 0.77
CA9 Q16790 6/20 0.77
CA4 P22748 6/20 0.77
CA6 P23280 4/20 0.77
CA5A P35218 4/20 0.77
CA7 P43166 4/20 0.77
CA14 Q9ULX7 4/20 0.77
CA5B Q9Y2D0 4/20 0.77
SMN1; SMN2 Q16637 1/20 0.69
MAPT P10636 1/20 0.61

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
Hydrochloric Acid SCHEMBL15193100 0.98 CA2 (0.74) CA2CA1CA12CA9CA4
SCHEMBL142107 0.87 CA2 (1.00) CA2CA1CA12CA9CA4
Hydrochloric Acid SCHEMBL2352021 0.85 CA2 (0.96) CA2CA1CA12CA9CA4
SCHEMBL1805394 0.83 CA2 (0.69) CA2CA1CA12CA9CA4
Hydrochloric Acid SCHEMBL27515376 0.83 CA2 (0.92) CA2CA1CA12CA9CA4
SCHEMBL1804527 0.82 CA2 (0.52) CA2CA1CA12CA9CA4
SCHEMBL1804384 0.82 CA2 (0.70) CA2CA1CA12CA9CA4
SCHEMBL8506132 0.82 CA2 (0.67) CA2CA1CA12CA9CA4
SCHEMBL6798039 0.82 CA2 (0.52) CA2CA1CA12CA9CA4
SCHEMBL1805395 0.82 CA2 (1.00) CA2CA1CA12CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed
CN-1005711-B Preparation method of phenoxypropanolamine compounds 弗·哈夫曼-拉罗彻公司 1989-11-08 CN disclosed
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 EP disclosed
US-4652679-A Aziridine and phenethanolamine derivatives having antiobesity and anti-hyperglycaemic acitivity HOFFMANN-LA ROCHE INC. (US) 1987-03-24 US disclosed
CN-85101280-A Benzene oxygen propanol amine compounds 1987-01-17 CN disclosed
US-4585796-A HYPOGLYCEMIC, ANTI-OBESITY HOFFMANN-LA ROCHE INC. (US) 1986-04-29 US disclosed
EP-0101069-B1 PHENETHANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-04-23 EP disclosed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP disclosed
EP-0101069-A1 Phenethanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-02-22 EP disclosed
EP-0094595-A1 Aziridine and phenylethanol amine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-23 EP disclosed