SCHEMBL8823936

SCHEMBL8823936

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

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.78
CTSK P43235 11/20 0.73
CTSL P07711 6/20 0.69
CTSB P07858 4/20 0.69
CTSS P25774 3/20 0.69

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
SCHEMBL9338295 0.91 CAPN1 (0.78) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL26292318 0.91 CTSK (0.75) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7163409 0.91 CTSK (0.75) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL2471949 0.91 CAPN1 (0.78) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL4575868 0.91 CTSK (0.75) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL8823914 0.91 CAPN1 (0.78) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL29308017 0.91 CAPN1 (0.78) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL20692456 0.90 CTSK (0.70) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL13735151 0.89 CAPN1 (0.63) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL21050812 0.89 CAPN1 (0.63) CAPN1CTSKCTSLCTSBCTSS

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 disclosed