SCHEMBL13784253

SCHEMBL13784253

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)C[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.52
CTSL P07711 18/20 0.52
CTSS P25774 14/20 0.52
CTSB P07858 2/20 0.50
CTSV O60911 1/20 0.50

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
SCHEMBL13784250 1.00 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4315414 0.89 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4312505 0.89 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4312501 0.89 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4315422 0.89 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL6744874 0.89 CTSK (0.54) CTSKCTSLCTSS
SCHEMBL6744878 0.89 CTSK (0.54) CTSKCTSLCTSS
SCHEMBL6740606 0.87 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6740612 0.87 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4312368 0.86 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV

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
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed