SCHEMBL6589284

SCHEMBL6589284

CC(C)C(C)C[C@H](NC(=O)ON1CCOCC1)C(=O)NC1C(=O)COC1CN1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.33
CTSS P25774 16/20 0.33
CTSK P43235 16/20 0.33

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
SCHEMBL6586623 0.90 CTSL (0.40) CTSLCTSSCTSK
SCHEMBL6590963 0.89 CTSS (0.33) CTSLCTSSCTSK
SCHEMBL6475532 0.87 CTSS (0.41) CTSLCTSSCTSK
SCHEMBL6590696 0.86 CTSK (0.38) CTSLCTSSCTSK
SCHEMBL6591046 0.86 CTSK (0.35) CTSLCTSSCTSK
SCHEMBL6591010 0.85 CTSL (0.32) CTSLCTSSCTSK
SCHEMBL6590422 0.82 CTSL (0.40) CTSLCTSSCTSK
SCHEMBL6591944 0.82 CTSL (0.35) CTSLCTSSCTSK
SCHEMBL6590048 0.81 CTSS (0.39) CTSLCTSSCTSK
SCHEMBL6589081 0.81 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