SCHEMBL8407401

SCHEMBL8407401

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)CCBr

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.65
CAPN1 P07384 2/20 0.64
CTSL P07711 6/20 0.61
CTSB P07858 4/20 0.61
CTSS P25774 3/20 0.61

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
SCHEMBL7164724 0.91 CTSK (0.67) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL3165013 0.89 CTSK (0.67) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL27509912 0.86 CTSK (0.70) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL27509913 0.86 CTSK (0.70) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7165055 0.86 CTSK (0.66) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL6825534 0.86 CAPN1 (0.74) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL5848800 0.84 CTSK (0.70) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL5848511 0.84 CTSK (0.70) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL8823900 0.84 CTSK (0.70) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL20760624 0.84 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS

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
US-5998470-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-12-07 US disclosed