SCHEMBL6582431

SCHEMBL6582431

CC(C)C[C@H](NC(=O)OCc1ccccn1)C(=O)NC1CN(Cc2ccccc2Br)CC1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.53
ANPEP P15144 1/20 0.42
CTSL P07711 6/20 0.42
CTSS P25774 4/20 0.41
CTSB P07858 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6582818 0.85 CTSK (0.57) CTSKCTSLCTSSCTSB
SCHEMBL6580092 0.84 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL6577734 0.82 CTSK (0.62) CTSKCTSLCTSSCTSB
SCHEMBL6582019 0.82 CTSK (0.47) CTSKCTSLCTSSCTSB
SCHEMBL6580087 0.80 CTSK (0.57) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6580742 0.79 CTSK (0.84) CTSKCTSLCTSSCTSB
SCHEMBL7380337 0.78 CTSK (0.51) CTSKCTSLCTSSCTSBMAPK1
Hydrochloric Acid SCHEMBL6580534 0.78 CTSK (0.51) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6580159 0.77 CTSK (0.69) CTSKCTSLCTSSCTSB
SCHEMBL6580403 0.76 CTSK (0.57) 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