SCHEMBL4584209

SCHEMBL4584209

CC(CNC(=O)O)c1ccc(-c2ccsc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 6/20 0.63
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP17A1 P05093 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
ACMSD Q8TDX5 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
ALDH1A1 P00352 1/20 0.38
P2RX3 P56373 1/20 0.37

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
SCHEMBL6783719 0.89 GRIA4 (0.63) GRIA4CTSLCTSBCTSSCTSK
SCHEMBL6790065 0.87 GRIA4 (0.61) GRIA4CTSLCTSBCTSSCTSK
SCHEMBL6789814 0.86 GRIA4 (0.60) GRIA4CTSLCTSBCTSSCTSK
SCHEMBL6788018 0.86 GRIA4 (0.60) GRIA4CTSLCTSBCTSSCTSK
SCHEMBL6787350 0.86 GRIA4 (0.64) GRIA4CTSLCTSBCTSSCTSK
SCHEMBL7209225 0.85 GRIA4 (0.59) GRIA4CTSLCTSBCTSSCTSK
SCHEMBL6783013 0.85 GRIA4 (0.59) GRIA4CTSLCTSBCTSSCTSK
SCHEMBL6789847 0.85 GRIA4 (0.59) GRIA4CTSLCTSBCTSSCTSK
SCHEMBL6786513 0.84 GRIA4 (0.57) GRIA4CTSLCTSBCTSSCTSK
SCHEMBL6784120 0.83 GRIA4 (0.54) GRIA4CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673337-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-06-28 EP claimed
WO-2005033066-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-14 WO claimed
EP-1972616-A1 Derivatives of arylalkylcarbamates, process for their preparation and therapeutic application thereof Sanofi-Aventis (FR) 2008-09-24 EP disclosed
EP-1673337-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-06-28 EP disclosed
WO-2005033066-A2 ARYLALKYLCARBAMATE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-04-14 WO disclosed