SCHEMBL6595149

SCHEMBL6595149

CCC1OCC(=O)C1NC(=O)[C@H](CC(C)(C)C)NC(=O)Oc1cc[nH]c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.57
CTSS P25774 20/20 0.57
CTSK P43235 20/20 0.57

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
SCHEMBL6591173 0.93 CTSL (0.49) CTSLCTSSCTSK
SCHEMBL6590400 0.92 CTSL (0.49) CTSLCTSSCTSK
SCHEMBL6594223 0.90 CTSL (0.45) CTSLCTSSCTSK
SCHEMBL6590855 0.90 CTSL (0.47) CTSLCTSSCTSK
SCHEMBL6591637 0.90 CTSL (0.47) CTSLCTSSCTSK
SCHEMBL6591052 0.89 CTSL (0.46) CTSLCTSSCTSK
SCHEMBL6590434 0.88 CTSL (0.46) CTSLCTSSCTSK
SCHEMBL6594877 0.87 CTSL (0.43) CTSLCTSSCTSK
SCHEMBL6590243 0.87 CTSL (0.44) CTSLCTSSCTSK
SCHEMBL6588510 0.86 CTSL (0.42) 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