SCHEMBL6590230

SCHEMBL6590230

Cc1occc1OC(=O)N[C@@H](CC(C)(C)CCc1ccccc1)C(=O)N[C@@H]1C(=O)CO[C@H]1C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.35
CTSL P07711 4/20 0.35
CTSS P25774 5/20 0.35
CTSB P07858 2/20 0.35
NAAA Q02083 3/20 0.34

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
SCHEMBL6588469 0.92 CTSK (0.36) CTSKCTSLCTSSCTSB
SCHEMBL6589005 0.92 CTSK (0.44) CTSKCTSLCTSSCTSB
SCHEMBL6586665 0.88 CTSL (0.40) CTSKCTSLCTSS
SCHEMBL6590983 0.88 CTSK (0.37) CTSKCTSLCTSSCTSB
SCHEMBL6590972 0.87 CTSK (0.37) CTSKCTSLCTSSCTSB
SCHEMBL6593240 0.87 CTSK (0.45) CTSKCTSLCTSSCTSB
SCHEMBL6484505 0.86 USP2 (0.46) CTSKCTSLCTSS
SCHEMBL6591090 0.85 CTSK (0.36) CTSKCTSLCTSSCTSBNAAA
SCHEMBL6588604 0.84 CTSK (0.38) CTSKCTSLCTSSCTSB
SCHEMBL6588348 0.83 CTSK (0.46) CTSKCTSLCTSSCTSB

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