SCHEMBL6580296

SCHEMBL6580296

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(C(=O)CNCC(C)(C)C(=O)OCc2ccccc2)C(=O)C1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.62
CTSL P07711 8/20 0.62
CTSS P25774 6/20 0.62
CTSB P07858 3/20 0.62
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45

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
SCHEMBL6578054 0.85 CTSK (0.64) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6580085 0.80 CTSK (0.69) CTSKCTSLCTSSCTSB
SCHEMBL6580090 0.80 CTSK (0.69) CTSKCTSLCTSSCTSB
SCHEMBL27474580 0.77 CTSK (0.73) CTSKCTSLCTSSCTSB
SCHEMBL7341826 0.77 CTSK (0.73) CTSKCTSLCTSSCTSB
SCHEMBL6578212 0.77 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL6577860 0.77 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL6580413 0.76 CTSK (0.89) CTSKCTSLCTSSCTSB
SCHEMBL7664197 0.75 CTSK (0.73) CTSKCTSLCTSSCTSB
SCHEMBL4686510 0.74 CTSK (1.00) CTSKCTSLCTSSCTSB

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
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP claimed