SCHEMBL11029065

SCHEMBL11029065

CC(C)(C)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.81
ADRB2 P07550 2/20 0.73
PMP22 Q01453 1/20 0.62

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 SCHEMBL11027634 0.99 ADRB3 (0.80) ADRB3ADRB2PMP22
Soterenol SCHEMBL932231 0.88 ADRB3 (0.76) ADRB3ADRB2
Hydrochloric Acid SCHEMBL11749095 0.88 ADRB3 (0.78) ADRB3ADRB2
Zinterol SCHEMBL30338438 0.85 ADRB2 (1.00) ADRB3ADRB2
Zinterol SCHEMBL14452736 0.85 ADRB2 (1.00) ADRB3ADRB2
Zinterol SCHEMBL119175 0.85 ADRB2 (1.00) ADRB3ADRB2
Zinterol SCHEMBL29390397 0.84 ADRB2 (1.00) ADRB3ADRB2
Zinterol SCHEMBL637070 0.84 ADRB2 (1.00) ADRB3ADRB2
Colterol SCHEMBL636005 0.83 PMP22 (0.71) ADRB3ADRB2PMP22
SCHEMBL11747553 0.83 ADRB3 (0.74) ADRB3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080595-B1 ALKANESULFONANILIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF AMERICAN CYANAMID COMPANY (US) 1985-05-29 EP claimed