SCHEMBL8823980

SCHEMBL8823980

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

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.73
CTSL P07711 6/20 0.69
CTSB P07858 4/20 0.69
CTSS P25774 3/20 0.69
CAPN1 P07384 2/20 0.66

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
SCHEMBL8823928 1.00 CTSK (0.73) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL8823946 0.95 CTSK (0.72) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL8823973 0.93 CTSK (0.70) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL21485271 0.90 CTSK (0.70) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL5848511 0.90 CTSK (0.70) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL8823900 0.90 CTSK (0.70) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL5848800 0.90 CTSK (0.70) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL25406813 0.90 CTSK (0.77) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL20770085 0.90 CTSK (0.77) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL8823918 0.90 CTSK (0.77) CTSKCTSLCTSBCTSSCAPN1

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