SCHEMBL6582644

SCHEMBL6582644

CC(C)C[C@H](NS(=O)(=O)Cc1ccccc1N)C(=O)NC1CN(CCc2ccccc2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.45
CTSL P07711 12/20 0.45
CTSS P25774 8/20 0.45
CTSB P07858 5/20 0.43

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
SCHEMBL6580369 0.85 CTSK (0.44) CTSKCTSLCTSSCTSB
SCHEMBL6582315 0.82 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL6582309 0.79 CTSK (0.44) CTSKCTSLCTSSCTSB
SCHEMBL6582321 0.75 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL6578303 0.72 CTSK (0.65) CTSKCTSLCTSSCTSB
SCHEMBL6578050 0.72 CTSK (0.81) CTSKCTSLCTSSCTSB
SCHEMBL6577961 0.70 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL6577997 0.70 CTSK (0.46) CTSKCTSLCTSSCTSB
SCHEMBL7379929 0.69 CTSK (0.55) CTSKCTSLCTSSCTSB
SCHEMBL5099108 0.68 CTSK (0.51) 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