SCHEMBL6580797

SCHEMBL6580797

CC(C)C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CC(O)C(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.76
CTSL P07711 9/20 0.55
CTSS P25774 7/20 0.55
CTSB P07858 3/20 0.52

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
SCHEMBL6580565 0.94 CTSK (0.83) CTSKCTSLCTSSCTSB
SCHEMBL6578110 0.93 CTSK (0.75) CTSKCTSLCTSSCTSB
SCHEMBL6581041 0.91 CTSK (0.88) CTSKCTSLCTSSCTSB
SCHEMBL6580333 0.89 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL6580320 0.88 CTSK (0.82) CTSKCTSLCTSSCTSB
SCHEMBL6580629 0.87 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL6580628 0.87 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL6580297 0.86 CTSK (0.84) CTSKCTSLCTSSCTSB
SCHEMBL6582059 0.86 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL6584121 0.86 CTSK (0.76) CTSKCTSLCTSSCTSB

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
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP claimed