SCHEMBL7379929

SCHEMBL7379929

CC(C)C[C@H](CN1CC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(F)cc2)C1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.55
CTSB P07858 2/20 0.55
CTSL P07711 7/20 0.54
CTSS P25774 3/20 0.46
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 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
SCHEMBL6577961 0.89 CTSK (0.51) CTSKCTSBCTSLCTSSTAOK1
SCHEMBL6580526 0.88 CTSK (0.51) CTSKCTSBCTSLCTSSTAOK1
SCHEMBL6578151 0.86 CTSK (0.56) CTSKCTSBCTSLCTSSTAOK1
SCHEMBL6580372 0.85 CTSK (0.75) CTSKCTSBCTSLCTSS
SCHEMBL6578144 0.85 CTSK (0.55) CTSKCTSBCTSLCTSSTAOK1
SCHEMBL6582647 0.85 CTSK (0.54) CTSKCTSBCTSLCTSSTAOK1
SCHEMBL6580725 0.84 CTSK (0.47) CTSKCTSBCTSLCTSS
SCHEMBL6580618 0.84 CTSK (0.54) CTSKCTSBCTSLCTSSTAOK1
Lithium Ion SCHEMBL6579977 0.82 CTSK (0.52) CTSKCTSBCTSLCTSSTAOK1
SCHEMBL6580334 0.79 CTSL (0.50) CTSKCTSBCTSLCTSS

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