SCHEMBL6590333

SCHEMBL6590333

CCC1OCC(=O)C1NC(=O)[C@H](CC(C)(C)Cc1ccccc1)NC(=O)ON1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.46
CTSS P25774 17/20 0.46
CTSL P07711 14/20 0.46
CTSB P07858 2/20 0.39

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
SCHEMBL6590184 0.92 CTSS (0.45) CTSKCTSSCTSLCTSB
SCHEMBL6593578 0.91 CTSK (0.40) CTSKCTSSCTSLCTSB
SCHEMBL6591065 0.91 CTSK (0.38) CTSKCTSSCTSLCTSB
SCHEMBL6587905 0.89 CTSK (0.47) CTSKCTSSCTSLCTSB
SCHEMBL6594456 0.88 CTSL (0.47) CTSKCTSSCTSL
SCHEMBL6482898 0.88 CTSS (0.49) CTSKCTSSCTSLCTSB
SCHEMBL6593924 0.86 CTSS (0.55) CTSKCTSSCTSL
SCHEMBL6591830 0.84 CTSL (0.47) CTSKCTSSCTSL
SCHEMBL6590578 0.83 CTSS (0.37) CTSKCTSSCTSLCTSB
SCHEMBL6590456 0.83 CTSS (0.40) 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