SCHEMBL6590703

SCHEMBL6590703

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

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.42
CTSS P25774 20/20 0.42
CTSK P43235 20/20 0.42

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
SCHEMBL6591697 0.93 CTSL (0.43) CTSLCTSSCTSK
SCHEMBL6588200 0.92 CTSL (0.43) CTSLCTSSCTSK
SCHEMBL6591525 0.91 CTSL (0.35) CTSLCTSSCTSK
SCHEMBL6589313 0.90 CTSL (0.32) CTSLCTSSCTSK
SCHEMBL6591364 0.89 CTSL (0.35) CTSLCTSSCTSK
SCHEMBL6591117 0.85 CTSL (0.58) CTSLCTSSCTSK
SCHEMBL6590562 0.85 CTSL (0.49) CTSLCTSSCTSK
SCHEMBL6592351 0.85 CTSL (0.54) CTSLCTSSCTSK
SCHEMBL6589925 0.85 CTSL (0.42) CTSLCTSSCTSK
SCHEMBL6483698 0.84 CTSL (0.52) 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