SCHEMBL6590696

SCHEMBL6590696

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.38
CTSS P25774 13/20 0.38
CTSL P07711 11/20 0.38
CTSB P07858 2/20 0.30

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
SCHEMBL6591830 0.91 CTSL (0.47) CTSKCTSSCTSL
SCHEMBL6475999 0.87 CTSS (0.40) CTSKCTSSCTSL
SCHEMBL6590963 0.87 CTSS (0.33) CTSKCTSSCTSL
SCHEMBL6590048 0.86 CTSS (0.39) CTSKCTSSCTSLCTSB
SCHEMBL6589284 0.86 CTSL (0.33) CTSKCTSSCTSL
SCHEMBL6588287 0.86 CTSK (0.36) CTSKCTSSCTSLCTSB
SCHEMBL6587320 0.86 CTSL (0.38) CTSKCTSSCTSL
SCHEMBL6593924 0.82 CTSS (0.55) CTSKCTSSCTSL
SCHEMBL6589490 0.82 CTSL (0.39) CTSKCTSSCTSL
SCHEMBL6590436 0.82 CTSK (0.39) CTSKCTSSCTSLCTSB

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