SCHEMBL6586853

SCHEMBL6586853

CCC1OCC(=O)C1NC(=O)[C@H](CCC(C)C)NC(=O)Oc1ccoc1C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.43
CTSS P25774 20/20 0.43
CTSK P43235 20/20 0.43

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
SCHEMBL6592480 0.93 CTSL (0.42) CTSLCTSSCTSK
SCHEMBL6586706 0.90 CTSK (0.33) CTSLCTSSCTSK
SCHEMBL6586690 0.90 CTSL (0.34) CTSLCTSSCTSK
SCHEMBL6590383 0.89 CTSK (0.34) CTSLCTSSCTSK
SCHEMBL6590159 0.88 CTSL (0.42) CTSLCTSSCTSK
SCHEMBL6593180 0.87 CTSL (0.57) CTSLCTSSCTSK
SCHEMBL6590577 0.87 CTSL (0.49) CTSLCTSSCTSK
SCHEMBL6588320 0.86 CTSL (0.49) CTSLCTSSCTSK
SCHEMBL6482906 0.84 CTSL (0.49) CTSLCTSSCTSK
SCHEMBL6587998 0.83 CTSL (0.34) 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