SCHEMBL6588937

SCHEMBL6588937

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

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.41
CTSL P07711 19/20 0.41
CTSK P43235 19/20 0.41

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
SCHEMBL6590422 0.93 CTSL (0.40) CTSSCTSLCTSK
SCHEMBL6590963 0.90 CTSS (0.33) CTSSCTSLCTSK
SCHEMBL6592927 0.89 CTSS (0.35) CTSSCTSLCTSK
SCHEMBL6592458 0.89 CTSS (0.33) CTSSCTSLCTSK
SCHEMBL6586623 0.88 CTSL (0.40) CTSSCTSLCTSK
SCHEMBL6593924 0.86 CTSS (0.55) CTSSCTSLCTSK
SCHEMBL6591830 0.86 CTSL (0.47) CTSSCTSLCTSK
SCHEMBL6475447 0.85 CTSS (0.48) CTSSCTSLCTSK
SCHEMBL6594456 0.85 CTSL (0.47) CTSSCTSLCTSK
SCHEMBL6594620 0.82 CTSL (0.32) CTSSCTSLCTSK

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