SCHEMBL4701701

SCHEMBL4701701

CC(C)CC(OCc1ccc(-c2ccc(N3CCN(C(=O)O)C(C(C)(C)C)C3)cc2)cc1)C(=O)NCC#N

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.45
CTSK P43235 16/20 0.45
CTSL P07711 15/20 0.45
CTSB P07858 14/20 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
SCHEMBL4699859 0.92 CTSK (0.51) CTSSCTSKCTSLCTSB
SCHEMBL4700791 0.89 CTSS (0.45) CTSSCTSKCTSLCTSB
SCHEMBL4699481 0.85 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL4701698 0.81 CTSS (0.66) CTSSCTSKCTSLCTSB
SCHEMBL4698804 0.80 CTSL (0.66) CTSSCTSKCTSLCTSB
SCHEMBL6236603 0.78 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL4699259 0.78 CTSK (0.60) CTSSCTSKCTSLCTSB
SCHEMBL6210052 0.77 CTSK (0.57) CTSSCTSKCTSLCTSB
SCHEMBL4704586 0.74 CTSS (0.44) CTSSCTSKCTSLCTSB
SCHEMBL4699860 0.74 CTSK (0.72) CTSSCTSKCTSLCTSB

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