SCHEMBL6587905

SCHEMBL6587905

CCC1OCC(=O)C1NC(=O)[C@H](CC(C)(C)c1ccccc1)NC(=O)ON1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.47
CTSS P25774 19/20 0.47
CTSL P07711 17/20 0.47
CTSB P07858 2/20 0.37

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
SCHEMBL6590048 0.91 CTSS (0.39) CTSKCTSSCTSLCTSB
SCHEMBL6592500 0.91 CTSK (0.37) CTSKCTSSCTSLCTSB
SCHEMBL6590003 0.91 CTSK (0.39) CTSKCTSSCTSLCTSB
SCHEMBL6590333 0.89 CTSK (0.46) CTSKCTSSCTSLCTSB
SCHEMBL6593924 0.88 CTSS (0.55) CTSKCTSSCTSL
SCHEMBL6484198 0.87 CTSS (0.49) CTSKCTSSCTSL
SCHEMBL6590184 0.87 CTSS (0.45) CTSKCTSSCTSLCTSB
SCHEMBL6594456 0.86 CTSL (0.47) CTSKCTSSCTSL
SCHEMBL6591830 0.85 CTSL (0.47) CTSKCTSSCTSL
SCHEMBL6592725 0.82 CTSL (0.47) CTSKCTSSCTSL

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