SCHEMBL6594456

SCHEMBL6594456

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

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.47
CTSS P25774 20/20 0.47
CTSK P43235 20/20 0.47

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
SCHEMBL6593924 0.93 CTSS (0.55) CTSLCTSSCTSK
SCHEMBL6589060 0.91 CTSK (0.38) CTSLCTSSCTSK
SCHEMBL6591783 0.91 CTSL (0.40) CTSLCTSSCTSK
SCHEMBL6591830 0.90 CTSL (0.47) CTSLCTSSCTSK
SCHEMBL6590333 0.88 CTSK (0.46) CTSLCTSSCTSK
SCHEMBL6590184 0.87 CTSS (0.45) CTSLCTSSCTSK
SCHEMBL6587905 0.86 CTSK (0.47) CTSLCTSSCTSK
SCHEMBL6485792 0.86 CTSS (0.49) CTSLCTSSCTSK
SCHEMBL6588937 0.85 CTSS (0.41) CTSLCTSSCTSK
SCHEMBL6586623 0.84 CTSL (0.40) CTSLCTSSCTSK

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