SCHEMBL6594147

SCHEMBL6594147

C[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC(C)(C)Cc1ccccc1)NC(=O)Oc1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.46
CTSS P25774 8/20 0.46
CTSL P07711 5/20 0.46
CTSB P07858 6/20 0.34
KLK5 Q9Y337 2/20 0.34
SCN9A Q15858 1/20 0.34
KLK7 P49862 1/20 0.34

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
SCHEMBL6594735 0.92 CTSK (0.45) CTSKCTSSCTSLCTSBKLK5
SCHEMBL6594823 0.91 CTSL (0.57) CTSKCTSSCTSL
SCHEMBL6588896 0.89 CTSK (0.51) CTSKCTSSCTSL
SCHEMBL6590280 0.89 CTSK (0.47) CTSKCTSSCTSLCTSBKLK5
SCHEMBL6594376 0.88 CTSS (0.58) CTSKCTSSCTSLCTSB
SCHEMBL6598790 0.87 CTSK (0.48) CTSKCTSSCTSLCTSBKLK5
SCHEMBL6593114 0.86 CTSK (0.47) CTSKCTSSCTSLCTSBSCN9A
SCHEMBL6589053 0.86 CTSK (0.37) CTSKCTSSCTSLCTSBKLK5
SCHEMBL6476209 0.86 CTSK (0.63) CTSKCTSSCTSL
SCHEMBL6590653 0.86 CTSK (0.49) CTSKCTSSCTSLCTSB

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