SCHEMBL6592887

SCHEMBL6592887

CCC1OCC(=O)C1NC(=O)[C@H](CC(C)(C)c1ccccc1)NC(=O)Oc1ccsc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.59
CTSS P25774 20/20 0.59
CTSK P43235 20/20 0.59

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
SCHEMBL6590280 0.91 CTSK (0.47) CTSLCTSSCTSK
SCHEMBL6592443 0.91 CTSL (0.49) CTSLCTSSCTSK
SCHEMBL6590851 0.90 CTSK (0.48) CTSLCTSSCTSK
SCHEMBL6588718 0.90 CTSL (0.73) CTSLCTSSCTSK
SCHEMBL6594823 0.89 CTSL (0.57) CTSLCTSSCTSK
SCHEMBL6591877 0.88 CTSL (0.63) CTSLCTSSCTSK
SCHEMBL6591732 0.87 CTSL (0.62) CTSLCTSSCTSK
SCHEMBL6587778 0.87 CTSL (0.56) CTSLCTSSCTSK
SCHEMBL6592725 0.86 CTSL (0.47) CTSLCTSSCTSK
SCHEMBL6482882 0.86 CTSL (0.80) 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