SCHEMBL6590095

SCHEMBL6590095

CC(C)(C[C@H](NC(=O)Oc1ccoc1)C(=O)NC1C(=O)COC1CN1CCCC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.38
CTSS P25774 19/20 0.38
CTSL P07711 17/20 0.38
CTSB P07858 2/20 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
SCHEMBL6592725 0.90 CTSL (0.47) CTSKCTSSCTSL
SCHEMBL6589218 0.90 CTSK (0.38) CTSKCTSSCTSLCTSB
SCHEMBL6589788 0.89 CTSL (0.41) CTSKCTSSCTSL
SCHEMBL6592446 0.88 CTSK (0.37) CTSKCTSSCTSLCTSB
SCHEMBL6588689 0.87 CTSK (0.38) CTSKCTSSCTSLCTSB
SCHEMBL6590851 0.87 CTSK (0.48) CTSKCTSSCTSLCTSB
SCHEMBL6486718 0.87 CTSL (0.47) CTSKCTSSCTSL
SCHEMBL6590806 0.86 CTSK (0.38) CTSKCTSSCTSLCTSB
SCHEMBL6592634 0.86 CTSK (0.37) CTSKCTSSCTSLCTSB
SCHEMBL6590048 0.85 CTSS (0.39) CTSKCTSSCTSLCTSB

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