SCHEMBL8823924

SCHEMBL8823924

COCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.53
CASP1 P29466 2/20 0.52
CAPN1 P07384 2/20 0.51
CTSL P07711 7/20 0.51
CTSS P25774 6/20 0.51
CTSB P07858 2/20 0.50

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
SCHEMBL8823892 0.87 CTSK (0.69) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL8824012 0.83 CTSK (0.54) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL7315453 0.82 CAPN1 (0.70) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL7315481 0.82 CAPN1 (0.70) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL8823932 0.82 CTSK (0.53) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL8823926 0.82 CTSK (0.56) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL7764593 0.80 CTSL (0.65) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL8823925 0.80 CTSK (0.67) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL8823929 0.80 CTSK (0.67) CTSKCAPN1CTSLCTSSCTSB
SCHEMBL8823939 0.79 ANPEP (0.52) CTSKCAPN1CTSLCTSSCTSB

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
WO-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO claimed