SCHEMBL6590983

SCHEMBL6590983

Cc1occc1OC(=O)N[C@@H](CC(C)(C)CCc1ccccc1)C(=O)NC1C(=O)COC1CCN(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.37
CTSS P25774 12/20 0.37
CTSL P07711 11/20 0.37
CTSB P07858 2/20 0.32
UTS2R Q9UKP6 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
SCHEMBL6592491 0.93 CTSK (0.38) CTSKCTSSCTSLCTSBUTS2R
SCHEMBL6589005 0.91 CTSK (0.44) CTSKCTSSCTSLCTSB
SCHEMBL6592370 0.89 CTSL (0.41) CTSKCTSSCTSL
SCHEMBL6594012 0.88 CTSK (0.38) CTSKCTSSCTSLCTSBUTS2R
SCHEMBL6590428 0.88 CTSL (0.47) CTSKCTSSCTSL
SCHEMBL6484155 0.88 USP2 (0.41) CTSKCTSSCTSL
SCHEMBL6590230 0.88 CTSK (0.35) CTSKCTSSCTSLCTSB
SCHEMBL6592946 0.87 CTSK (0.38) CTSKCTSSCTSLCTSBUTS2R
SCHEMBL6587635 0.86 CTSL (0.40) CTSKCTSSCTSLUTS2R
SCHEMBL6590483 0.84 CTSK (0.37) CTSKCTSSCTSLCTSBUTS2R

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