SCHEMBL27511368

SCHEMBL27511368

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N(N)C=O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.63
CTSL P07711 6/20 0.63
CTSB P07858 5/20 0.63
CTSS P25774 4/20 0.63
PSMB1 P20618 1/20 0.56
PSMB5 P28074 1/20 0.56
PSMB2 P49721 1/20 0.56
CASP1 P29466 1/20 0.54
CASP3 P42574 1/20 0.54
CASP7 P55210 1/20 0.54
CASP6 P55212 1/20 0.54
CASP8 Q14790 1/20 0.54

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
SCHEMBL7160782 1.00 CTSK (0.63) CTSKCTSLCTSBCTSSPSMB1
SCHEMBL7181854 0.87 CTSK (0.70) CTSKCTSLCTSBCTSS
SCHEMBL27473690 0.85 CTSK (0.60) CTSKCTSLCTSBCTSS
SCHEMBL608854 0.84 CTSK (0.72) CTSKCTSLCTSBCTSSPSMB1
SCHEMBL3383041 0.84 CTSK (0.72) CTSKCTSLCTSBCTSSPSMB1
SCHEMBL6943810 0.84 CTSK (0.72) CTSKCTSLCTSBCTSSPSMB1
SCHEMBL7167532 0.84 CNR2 (0.47) CTSKCTSLCTSBCTSSPSMB1
SCHEMBL11302585 0.83 CTSK (0.62) CTSKCTSLCTSBCTSS
SCHEMBL17596884 0.81 CTSK (0.55) CTSKCTSLCTSBCTSSPSMB1
SCHEMBL160926 0.81 CTSK (0.55) CTSKCTSLCTSBCTSSPSMB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1341590-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1341593-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1341592-A Proteinase inhibitor SMITHKLINE BEECHEM CORP (US) 2002-03-27 CN disclosed
CN-1207095-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 1999-02-03 CN disclosed