SCHEMBL6590963

SCHEMBL6590963

CC(C)CC[C@H](NC(=O)ON1CCOCC1)C(=O)NC1C(=O)COC1CN1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.33
CTSK P43235 18/20 0.33
CTSL P07711 17/20 0.33

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
SCHEMBL6588937 0.90 CTSS (0.41) CTSSCTSKCTSL
SCHEMBL6589284 0.89 CTSL (0.33) CTSSCTSKCTSL
SCHEMBL6590696 0.87 CTSK (0.38) CTSSCTSKCTSL
SCHEMBL6486213 0.86 CTSS (0.45) CTSSCTSKCTSL
SCHEMBL6592927 0.85 CTSS (0.35) CTSSCTSKCTSL
SCHEMBL6592458 0.85 CTSS (0.33) CTSSCTSKCTSL
SCHEMBL6590422 0.83 CTSL (0.40) CTSSCTSKCTSL
SCHEMBL6590048 0.82 CTSS (0.39) CTSSCTSKCTSL
SCHEMBL6590302 0.81 CTSK (0.34) CTSSCTSKCTSL
SCHEMBL6590383 0.81 CTSK (0.34) CTSSCTSKCTSL

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-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP claimed