SCHEMBL4553029

SCHEMBL4553029

Cn1nccc1-c1ccc(C(=O)NC(Cc2ccccc2)C(NC(=O)O)C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.41
CTSL P07711 2/20 0.41
CTSV O60911 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
HDAC8 Q9BY41 7/20 0.39
ROCK2 O75116 5/20 0.37
HTR2A P28223 1/20 0.36
PPARG P37231 2/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL4554202 0.88 CTSV (0.42) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL3337876 0.82 ROCK2 (0.48) TRPM8CTSLCTSVCTSBCTSS
SCHEMBL4430001 0.81 TRPM8 (0.41) TRPM8PPARG
SCHEMBL3336362 0.80 HDAC4 (0.43) TRPM8CTSLCTSVCTSBCTSS
SCHEMBL4371338 0.79 HDAC8 (0.40) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL13300017 0.79 ATM (0.42) TRPM8CTSLCTSVCTSBCTSS
SCHEMBL4542245 0.78 AKT1 (0.39) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL4542689 0.78 HDAC8 (0.39) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL4384617 0.77 HDAC8 (0.43) CTSLCTSVCTSBCTSSHDAC8
SCHEMBL4540876 0.77 AKT1 (0.43) CTSLCTSVCTSBCTSSHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134175-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-12-23 EP disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed