SCHEMBL6589005

SCHEMBL6589005

CCC1OCC(=O)C1NC(=O)[C@H](CC(C)(C)CCc1ccccc1)NC(=O)Oc1ccoc1C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.44
CTSL P07711 18/20 0.44
CTSS P25774 18/20 0.44
CTSB P07858 1/20 0.34

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
SCHEMBL6588348 0.92 CTSK (0.46) CTSKCTSLCTSSCTSB
SCHEMBL6590230 0.92 CTSK (0.35) CTSKCTSLCTSSCTSB
SCHEMBL6590983 0.91 CTSK (0.37) CTSKCTSLCTSSCTSB
SCHEMBL6588320 0.89 CTSL (0.49) CTSKCTSLCTSS
SCHEMBL6591234 0.87 CTSL (0.47) CTSKCTSLCTSS
SCHEMBL6593180 0.87 CTSL (0.57) CTSKCTSLCTSS
SCHEMBL6483305 0.87 CTSL (0.50) CTSKCTSLCTSS
SCHEMBL6589295 0.85 CTSL (0.45) CTSKCTSLCTSS
SCHEMBL6590577 0.85 CTSL (0.49) CTSKCTSLCTSS
SCHEMBL6592491 0.84 CTSK (0.38) 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-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP claimed