SCHEMBL6598790

SCHEMBL6598790

CN(C)CCC1OCC(=O)C1NC(=O)[C@H](CC(C)(C)Cc1ccccc1)NC(=O)Oc1ccsc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.48
CTSS P25774 13/20 0.48
CTSL P07711 11/20 0.48
UTS2R Q9UKP6 1/20 0.34
KLK5 Q9Y337 2/20 0.32
SCN9A Q15858 1/20 0.32
CTSB P07858 3/20 0.32
KLK7 P49862 1/20 0.31

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
SCHEMBL6590008 0.93 CTSK (0.46) CTSKCTSSCTSLUTS2RKLK5
SCHEMBL6594823 0.91 CTSL (0.57) CTSKCTSSCTSL
SCHEMBL6588976 0.90 CTSL (0.53) CTSKCTSSCTSL
SCHEMBL6592443 0.90 CTSL (0.49) CTSKCTSSCTSLUTS2R
SCHEMBL6592614 0.88 CTSK (0.38) CTSKCTSSCTSLUTS2RKLK5
SCHEMBL6483862 0.87 CTSL (0.64) CTSKCTSSCTSL
SCHEMBL6590299 0.87 CTSL (0.51) CTSKCTSSCTSLUTS2R
SCHEMBL6594147 0.87 CTSK (0.46) CTSKCTSSCTSLKLK5SCN9A
SCHEMBL6591317 0.87 CTSK (0.38) CTSKCTSSCTSLUTS2RKLK5
SCHEMBL6593114 0.86 CTSK (0.47) CTSKCTSSCTSLSCN9ACTSB

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