SCHEMBL6578192

SCHEMBL6578192

CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NC1CN(C(=O)c2ccccc2)CC1=O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.65
CTSL P07711 5/20 0.62
CASP1 P29466 1/20 0.56
CASP3 P42574 1/20 0.56
CTSS P25774 3/20 0.54
CTSB P07858 2/20 0.52
TAOK1 Q7L7X3 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47

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
SCHEMBL6580161 0.91 CTSK (0.66) CTSKCTSLCASP1CASP3CTSS
SCHEMBL6580581 0.87 CTSK (0.62) CTSKCTSLCTSSCTSBTAOK1
SCHEMBL6581108 0.85 CTSK (0.65) CTSKCTSLCTSSCTSB
SCHEMBL6577984 0.85 CTSK (0.64) CTSKCTSLCASP1CASP3CTSS
SCHEMBL6583815 0.83 CASP1 (0.62) CTSKCTSLCASP1CASP3
SCHEMBL6577927 0.81 CASP1 (0.59) CTSKCASP1CASP3
SCHEMBL6577777 0.80 CTSK (0.65) CTSKCTSLCASP1CASP3CTSS
SCHEMBL6579813 0.80 CTSK (0.67) CTSKCTSLCTSSCTSB
SCHEMBL6580544 0.79 CTSK (0.59) CTSKCTSLCASP1CASP3CTSS
SCHEMBL5099344 0.79 CTSK (0.57) CTSKCTSLCTSSCTSBTAOK1

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