SCHEMBL6589756

SCHEMBL6589756

C[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC(C)(C)Cc1ccccc1)NC(=O)Oc1cc[nH]c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.38
CTSL P07711 10/20 0.38
CTSS P25774 8/20 0.36
KLK5 Q9Y337 3/20 0.36
CTSB P07858 3/20 0.34
KLK7 P49862 1/20 0.34
SCN9A Q15858 1/20 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
SCHEMBL6592550 0.92 CTSK (0.37) CTSKCTSLCTSSKLK5CTSB
SCHEMBL6590434 0.91 CTSL (0.46) CTSKCTSLCTSSKLK5
SCHEMBL6592517 0.89 CTSL (0.40) CTSKCTSLCTSS
SCHEMBL6591350 0.89 CTSK (0.37) CTSKCTSLCTSSKLK5CTSB
SCHEMBL6594223 0.88 CTSL (0.45) CTSKCTSLCTSSCTSB
SCHEMBL6591317 0.87 CTSK (0.38) CTSKCTSLCTSSKLK5CTSB
SCHEMBL6592875 0.86 CTSK (0.37) CTSKCTSLCTSSKLK5CTSB
SCHEMBL6589053 0.86 CTSK (0.37) CTSKCTSLCTSSKLK5CTSB
SCHEMBL6485754 0.86 CTSK (0.44) CTSKCTSLCTSS
SCHEMBL6590240 0.86 CTSL (0.38) CTSKCTSLCTSSKLK5CTSB

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