SCHEMBL6592608

SCHEMBL6592608

CCC1OCC(=O)C1NC(=O)[C@H](CC(C)(C)Cc1ccccc1)NC(=O)Oc1ccoc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.46
CTSS P25774 20/20 0.46
CTSK P43235 20/20 0.46

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
SCHEMBL6589295 0.92 CTSL (0.45) CTSLCTSSCTSK
SCHEMBL6592614 0.92 CTSK (0.38) CTSLCTSSCTSK
SCHEMBL6589053 0.91 CTSK (0.37) CTSLCTSSCTSK
SCHEMBL6589218 0.90 CTSK (0.38) CTSLCTSSCTSK
SCHEMBL6590795 0.90 CTSL (0.50) CTSLCTSSCTSK
SCHEMBL6592725 0.89 CTSL (0.47) CTSLCTSSCTSK
SCHEMBL6591117 0.88 CTSL (0.58) CTSLCTSSCTSK
SCHEMBL6594823 0.86 CTSL (0.57) CTSLCTSSCTSK
SCHEMBL6590434 0.86 CTSL (0.46) CTSLCTSSCTSK
SCHEMBL6476085 0.86 CTSL (0.56) 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