SCHEMBL6579765

SCHEMBL6579765

CC(C)C[C@@H](CN1CC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)Nc2ccc(Cl)c(Cl)c2)C1)NC(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.71
CTSL P07711 11/20 0.71
CTSB P07858 4/20 0.63
CTSS P25774 7/20 0.58

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
SCHEMBL6580347 0.89 CTSK (0.76) CTSKCTSLCTSBCTSS
SCHEMBL6577712 0.88 CTSK (0.90) CTSKCTSLCTSBCTSS
SCHEMBL6578014 0.86 CTSK (0.81) CTSKCTSLCTSBCTSS
SCHEMBL7585969 0.83 CTSK (1.00) CTSKCTSLCTSBCTSS
SCHEMBL6581156 0.83 CTSK (0.81) CTSKCTSLCTSBCTSS
SCHEMBL6577841 0.82 CTSK (0.80) CTSKCTSLCTSBCTSS
SCHEMBL6577976 0.82 CTSK (0.79) CTSKCTSLCTSBCTSS
SCHEMBL6580275 0.81 CTSK (0.87) CTSKCTSLCTSBCTSS
SCHEMBL6580343 0.81 CTSK (0.83) CTSKCTSLCTSBCTSS
SCHEMBL6580372 0.81 CTSK (0.75) CTSKCTSLCTSBCTSS

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 disclosed