SCHEMBL6590048

SCHEMBL6590048

CC(C)(C[C@H](NC(=O)ON1CCOCC1)C(=O)NC1C(=O)COC1CN1CCCC1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.39
CTSK P43235 13/20 0.39
CTSL P07711 10/20 0.39
CTSB P07858 2/20 0.34
TACR3 P29371 1/20 0.33
REN P00797 2/20 0.33

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) CTSSCTSKCTSLCTSB
SCHEMBL6486052 0.88 CTSS (0.44) CTSSCTSKCTSLCTSB
SCHEMBL6592500 0.87 CTSK (0.37) CTSSCTSKCTSLCTSBTACR3
SCHEMBL6590003 0.87 CTSK (0.39) CTSSCTSKCTSLCTSB
SCHEMBL6590696 0.86 CTSK (0.38) CTSSCTSKCTSLCTSB
SCHEMBL6590095 0.85 CTSK (0.38) CTSSCTSKCTSLCTSB
SCHEMBL6483013 0.85 CTSK (0.51) CTSSCTSKCTSL
SCHEMBL7524903 0.85 CTSK (0.51) CTSSCTSKCTSL
SCHEMBL6588689 0.84 CTSK (0.38) CTSSCTSKCTSLCTSB
SCHEMBL6590851 0.84 CTSK (0.48) 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