SCHEMBL7472547

SCHEMBL7472547

[CH2]CC(C)(c1ccccc1)C(C(=O)NC1C(=O)COC1CCN(C)C)n1ccc(C(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.35
CTSS P25774 11/20 0.35
CTSK P43235 11/20 0.35

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
SCHEMBL6475013 0.91 CTSL (0.34) CTSLCTSSCTSK
SCHEMBL7464591 0.90 CTSL (0.37) CTSLCTSSCTSK
SCHEMBL7469401 0.84 CTSL (0.36) CTSLCTSSCTSK
SCHEMBL6477014 0.84 CTSL (0.36) CTSLCTSSCTSK
SCHEMBL7458638 0.83 CTSL (0.34) CTSLCTSSCTSK
SCHEMBL6475802 0.81 CTSL (0.42) CTSLCTSSCTSK
SCHEMBL6475781 0.81 CTSL (0.36) CTSLCTSSCTSK
SCHEMBL7462606 0.80 CTSL (0.32) CTSLCTSSCTSK
SCHEMBL7464082 0.79
SCHEMBL7472917 0.78

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178986-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S Medivir UK Ltd (GB) 2002-02-13 EP disclosed
WO-2000069855-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LIMITED (GB) 2000-11-23 WO disclosed