SCHEMBL6587778

SCHEMBL6587778

CCC1OCC(=O)C1NC(=O)[C@H](CC(C)(C)CCc1ccccc1)NC(=O)Oc1ccsc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.56
CTSK P43235 19/20 0.56
CTSS P25774 18/20 0.56

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
SCHEMBL6594823 0.92 CTSL (0.57) CTSLCTSKCTSS
SCHEMBL6594735 0.92 CTSK (0.45) CTSLCTSKCTSS
SCHEMBL6590008 0.91 CTSK (0.46) CTSLCTSKCTSS
SCHEMBL6590929 0.91 CTSK (0.46) CTSLCTSKCTSS
SCHEMBL6591877 0.89 CTSL (0.63) CTSLCTSKCTSS
SCHEMBL6592887 0.87 CTSL (0.59) CTSLCTSKCTSS
SCHEMBL6588718 0.87 CTSL (0.73) CTSLCTSKCTSS
SCHEMBL6589295 0.87 CTSL (0.45) CTSLCTSKCTSS
SCHEMBL6475522 0.87 CTSL (0.75) CTSLCTSKCTSS
SCHEMBL6590243 0.86 CTSL (0.44) CTSLCTSKCTSS

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