SCHEMBL6590003

SCHEMBL6590003

CN(C)CCC1OCC(=O)C1NC(=O)[C@H](CC(C)(C)c1ccccc1)NC(=O)ON1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.39
CTSS P25774 15/20 0.39
CTSL P07711 12/20 0.39
CTSB P07858 2/20 0.34
UTS2R Q9UKP6 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL6587905 0.91 CTSK (0.47) CTSKCTSSCTSLCTSB
SCHEMBL6591065 0.90 CTSK (0.38) CTSKCTSSCTSLCTSBUTS2R
SCHEMBL6594368 0.89 CTSS (0.45) CTSKCTSSCTSL
SCHEMBL6476369 0.88 CTSS (0.43) CTSKCTSSCTSLCTSB
SCHEMBL6590578 0.88 CTSS (0.37) CTSKCTSSCTSLCTSBUTS2R
SCHEMBL6590048 0.87 CTSS (0.39) CTSKCTSSCTSLCTSB
SCHEMBL6591783 0.87 CTSL (0.40) CTSKCTSSCTSL
SCHEMBL6587320 0.87 CTSL (0.38) CTSKCTSSCTSL
SCHEMBL6592500 0.86 CTSK (0.37) CTSKCTSSCTSLCTSB
SCHEMBL6476624 0.83 CTSK (0.51) CTSKCTSSCTSL

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