SCHEMBL7377456

SCHEMBL7377456

CC(C)C[C@H](CN1CC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)Cc2ccccc2)C1)NC(=O)Cc1c[nH]cn1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.60
CTSL P07711 11/20 0.60
CTSB P07858 4/20 0.55
CTSS P25774 7/20 0.47
GZMB P10144 1/20 0.43
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL6578014 0.83 CTSK (0.81) CTSKCTSLCTSBCTSS
SCHEMBL6580107 0.82 CTSK (0.69) CTSKCTSLCTSBCTSSCASP1
SCHEMBL6580466 0.78 CTSK (0.55) CTSKCTSLCTSBCTSSCASP1
SCHEMBL6577712 0.77 CTSK (0.90) CTSKCTSLCTSBCTSS
SCHEMBL6580314 0.76 CTSK (0.69) CTSKCTSLCTSBCTSS
SCHEMBL6582040 0.76 CTSK (0.69) CTSKCTSLCTSBCTSS
SCHEMBL6580343 0.76 CTSK (0.83) CTSKCTSLCTSBCTSS
SCHEMBL6578154 0.75 CTSK (0.70) CTSKCTSLCTSBCTSS
SCHEMBL7585969 0.75 CTSK (1.00) CTSKCTSLCTSBCTSS
SCHEMBL6578258 0.74 CTSK (0.74) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936912-A4 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 1999-10-13 EP claimed
EP-0936912-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-08-25 EP claimed
WO-1998005336-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO claimed