SCHEMBL4704586

SCHEMBL4704586

CC(C)CC(Oc1ccc(-c2ccc(N3CCN(C(=O)O)C([Si](C(C)C)(C(C)C)C(C)C)C3)cc2)cc1)C(=O)NCC#N

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.44
CTSL P07711 14/20 0.44
CTSK P43235 14/20 0.44
CTSB P07858 13/20 0.44

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
SCHEMBL4699756 0.93 CTSK (0.50) CTSSCTSLCTSKCTSB
SCHEMBL6209030 0.82 CTSS (0.53) CTSSCTSLCTSKCTSB
SCHEMBL4699184 0.79 CTSS (0.54) CTSSCTSLCTSKCTSB
SCHEMBL4701781 0.79 CTSL (0.68) CTSSCTSLCTSKCTSB
SCHEMBL6208357 0.75 CTSK (0.60) CTSSCTSLCTSKCTSB
SCHEMBL4702186 0.74 CTSK (0.64) CTSSCTSLCTSKCTSB
SCHEMBL4701701 0.74 CTSS (0.45) CTSSCTSLCTSKCTSB
SCHEMBL4699757 0.73 CTSK (0.59) CTSSCTSLCTSKCTSB
SCHEMBL6208924 0.73 CTSK (0.59) CTSSCTSLCTSKCTSB
SCHEMBL4698932 0.71 CTSS (0.71) CTSSCTSLCTSKCTSB

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-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP claimed