SCHEMBL5196742

SCHEMBL5196742

CC(C)[C@@](CC#N)(NC(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.39
CTSK P43235 6/20 0.39
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
PIK3CD O00329 1/20 0.31

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
SCHEMBL4594988 0.77 PIK3CD (0.34) PIK3CD
SCHEMBL5194246 0.77 PIK3CD (0.34) PIK3CD
SCHEMBL5010288 0.74 PIK3CD (0.32) PIK3CD
SCHEMBL5011001 0.73 PIK3CD (0.32) PIK3CD
SCHEMBL2340883 0.72 MCL1 (0.33) CTSSCTSK
SCHEMBL17275350 0.71 MCL1 (0.32) CTSSCTSK
SCHEMBL5195724 0.68 CTSS (0.32) CTSSCTSKCTSLCTSB
SCHEMBL6403625 0.66 CA2 (0.33) CTSSCTSK
SCHEMBL6410182 0.66 CA2 (0.33) CTSSCTSK
SCHEMBL7442178 0.64 DGAT1 (0.42) CTSSCTSKCTSLCTSB

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-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed