SCHEMBL6594223

SCHEMBL6594223

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.45
CTSK P43235 10/20 0.45
CTSS P25774 10/20 0.45
CTSB P07858 1/20 0.32
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL6592517 0.92 CTSL (0.40) CTSLCTSKCTSS
SCHEMBL6590240 0.92 CTSL (0.38) CTSLCTSKCTSSCTSBNFKB1
SCHEMBL6595149 0.90 CTSL (0.57) CTSLCTSKCTSS
SCHEMBL6591350 0.90 CTSK (0.37) CTSLCTSKCTSSCTSBNFKB1
SCHEMBL6589756 0.88 CTSK (0.38) CTSLCTSKCTSSCTSB
SCHEMBL6594449 0.87 CTSK (0.33) CTSLCTSKCTSSCTSB
SCHEMBL6592550 0.87 CTSK (0.37) CTSLCTSKCTSSCTSB
SCHEMBL6591380 0.86 CTSK (0.35) CTSLCTSKCTSSCTSB
SCHEMBL6594541 0.85 CTSL (0.32) CTSLCTSKCTSS
SCHEMBL6591637 0.85 CTSL (0.47) CTSLCTSKCTSS

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