SCHEMBL6582312

SCHEMBL6582312

CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)NC1CN(C(=O)OC(C)(C)C)CC1O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.67
CTSL P07711 11/20 0.52
CTSB P07858 5/20 0.52
CTSS P25774 6/20 0.49

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
SCHEMBL6580163 0.90 CTSK (0.68) CTSKCTSLCTSBCTSS
SCHEMBL6580320 0.90 CTSK (0.82) CTSKCTSLCTSBCTSS
SCHEMBL6580589 0.89 CTSK (0.85) CTSKCTSLCTSBCTSS
SCHEMBL6580309 0.85 CTSK (0.68) CTSKCTSLCTSBCTSS
SCHEMBL6581041 0.84 CTSK (0.88) CTSKCTSLCTSBCTSS
SCHEMBL6582059 0.83 CTSK (0.76) CTSKCTSLCTSBCTSS
SCHEMBL6577838 0.83 CTSK (0.70) CTSKCTSLCTSBCTSS
SCHEMBL6581928 0.83 CTSK (0.82) CTSKCTSLCTSBCTSS
SCHEMBL27570487 0.82 CTSK (0.75) CTSKCTSLCTSBCTSS
SCHEMBL6583067 0.81 CTSK (0.90) 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 claimed