SCHEMBL6584121

SCHEMBL6584121

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 10/20 0.76
CTSS P25774 6/20 0.76
CTSB P07858 3/20 0.71

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
SCHEMBL6580332 0.94 CTSK (0.83) CTSKCTSLCTSSCTSB
SCHEMBL6580599 0.93 CTSK (0.70) CTSKCTSLCTSSCTSB
SCHEMBL6577921 0.93 CTSK (0.75) CTSKCTSLCTSSCTSB
SCHEMBL6578083 0.91 CTSK (0.79) CTSKCTSLCTSSCTSB
SCHEMBL6578123 0.91 CTSK (0.88) CTSKCTSLCTSSCTSB
Hydrochloric Acid SCHEMBL6581963 0.91 CTSK (0.78) CTSKCTSLCTSSCTSB
SCHEMBL6577918 0.89 CTSK (0.76) CTSKCTSLCTSSCTSB
SCHEMBL6578019 0.89 CTSK (0.83) CTSKCTSLCTSSCTSB
SCHEMBL6580451 0.87 CTSK (0.83) CTSKCTSLCTSSCTSB
SCHEMBL6580370 0.87 CTSK (0.77) 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