SCHEMBL6594376

SCHEMBL6594376

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.58
CTSK P43235 12/20 0.58
CTSL P07711 12/20 0.58
CTSB P07858 1/20 0.32
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL6590653 0.92 CTSK (0.49) CTSSCTSKCTSLCTSBNFKB1
SCHEMBL6588896 0.92 CTSK (0.51) CTSSCTSKCTSL
SCHEMBL6588718 0.90 CTSL (0.73) CTSSCTSKCTSL
SCHEMBL6590280 0.90 CTSK (0.47) CTSSCTSKCTSLCTSBNFKB1
SCHEMBL6594147 0.88 CTSK (0.46) CTSSCTSKCTSLCTSB
SCHEMBL6594735 0.87 CTSK (0.45) CTSSCTSKCTSLCTSB
SCHEMBL6592330 0.86 CTSK (0.43) CTSSCTSKCTSL
SCHEMBL6590249 0.85 CTSL (0.42) CTSSCTSKCTSL
SCHEMBL6588785 0.85 CTSL (0.58) CTSSCTSKCTSL
SCHEMBL6590208 0.84 CTSL (0.46) CTSSCTSKCTSLCTSB

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