SCHEMBL6589799

SCHEMBL6589799

Cc1occc1OC(=O)N[C@@H](CC(C)(C)C)C(=O)NC1C(=O)COC1CN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.46
CTSS P25774 19/20 0.46
CTSK P43235 19/20 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
SCHEMBL6592575 0.93 CTSL (0.41) CTSLCTSSCTSK
SCHEMBL6590436 0.93 CTSK (0.39) CTSLCTSSCTSK
SCHEMBL6590806 0.91 CTSK (0.38) CTSLCTSSCTSK
SCHEMBL6588307 0.90 CTSK (0.37) CTSLCTSSCTSK
SCHEMBL6593180 0.89 CTSL (0.57) CTSLCTSSCTSK
SCHEMBL6590383 0.89 CTSK (0.34) CTSLCTSSCTSK
SCHEMBL6589081 0.88 CTSL (0.34) CTSLCTSSCTSK
SCHEMBL6588717 0.87 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL6476309 0.86 CTSL (0.52) CTSLCTSSCTSK
SCHEMBL6593240 0.85 CTSK (0.45) 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