SCHEMBL8823892

SCHEMBL8823892

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

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.69
CTSL P07711 5/20 0.65
CTSS P25774 3/20 0.65
CTSB P07858 3/20 0.65
CAPN1 P07384 2/20 0.64

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
SCHEMBL7315453 0.94 CAPN1 (0.70) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7315481 0.94 CAPN1 (0.70) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL7764593 0.92 CTSL (0.65) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823929 0.92 CTSK (0.67) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823925 0.92 CTSK (0.67) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823894 0.91 CTSK (0.69) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823926 0.90 CTSK (0.56) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823980 0.89 CTSK (0.73) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823928 0.89 CTSK (0.73) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL8823907 0.89 CTSK (0.58) CTSKCTSLCTSSCTSBCAPN1

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 2 patents. 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 claimed
WO-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed