SCHEMBL4639745

SCHEMBL4639745

SCc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.73
MAOB P27338 4/20 0.52
MAOA P21397 1/20 0.52
S1PR5 Q9H228 1/20 0.44
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
APP P05067 1/20 0.42
AGXT P21549 1/20 0.41
LTA4H P09960 2/20 0.41
PTGS2 P35354 1/20 0.41
EPHX2 P34913 1/20 0.41
ST14 Q9Y5Y6 1/20 0.40

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
SCHEMBL285383 0.88 IDO1 (0.64) IDO1LTA4HST14
SCHEMBL307618 0.85
SCHEMBL10870044 0.81 MAOB (0.56) IDO1MAOBMAOAS1PR5PPARG
SCHEMBL457634 0.80 MAOA (0.74) MAOBMAOALTA4HPTGS2
SCHEMBL9242729 0.80 MAOA (0.74) MAOBMAOALTA4HPTGS2
SCHEMBL2987196 0.79 MAOB (0.54) IDO1MAOBMAOAS1PR5PPARG
SCHEMBL10605860 0.79 LTA4H (0.61) IDO1MAOALTA4H
SCHEMBL2056280 0.77 MAOB (0.52) IDO1MAOBMAOAS1PR5PPARG
SCHEMBL6824043 0.77 MAOB (0.52) IDO1MAOBMAOAS1PR5PPARG
SCHEMBL20591074 0.77 LTA4H (0.65) MAOBMAOAS1PR5PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357109-B1 Process for aryl alkyl sulfide HOFFMANN LA ROCHE (CH) 2008-07-23 EP claimed
CN-1240208-A Process for preparing 3-arylsulfur hydroxamic acids HOFFMANN LA ROCHE (CH) 2000-01-05 CN claimed
EP-1357109-B1 Process for aryl alkyl sulfide HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
EP-1357109-A2 Process for aryl alkyl sulfide F. HOFFMANN-LA ROCHE AG (CH) 2003-10-29 EP disclosed
CN-1388117-A Process for prodcing 3-aryl sulfate iso-hydroximic acid HOFFMANN LA ROCHE (CH) 2003-01-01 CN disclosed
CN-1240208-A Process for preparing 3-arylsulfur hydroxamic acids HOFFMANN LA ROCHE (CH) 2000-01-05 CN disclosed
EP-0965592-A1 Process for preparing 3-arylsulfur hydroxamic acids F. HOFFMANN-LA ROCHE AG (CH) 1999-12-22 EP disclosed