SCHEMBL6590240

SCHEMBL6590240

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.38
CTSK P43235 6/20 0.38
CTSS P25774 5/20 0.38
CTSB P07858 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
KLK5 Q9Y337 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
SCHEMBL6594223 0.92 CTSL (0.45) CTSLCTSKCTSSCTSBNFKB1
SCHEMBL6590400 0.90 CTSL (0.49) CTSLCTSKCTSS
SCHEMBL6592517 0.90 CTSL (0.40) CTSLCTSKCTSS
SCHEMBL6591350 0.87 CTSK (0.37) CTSLCTSKCTSSCTSBNFKB1
SCHEMBL6594449 0.86 CTSK (0.33) CTSLCTSKCTSSCTSB
SCHEMBL6590883 0.86 CTSL (0.40) CTSLCTSKCTSS
SCHEMBL6589756 0.86 CTSK (0.38) CTSLCTSKCTSSCTSBKLK5
SCHEMBL6591380 0.86 CTSK (0.35) CTSLCTSKCTSSCTSB
SCHEMBL6589490 0.85 CTSL (0.39) CTSLCTSKCTSS
SCHEMBL6591197 0.85 CTSL (0.39) CTSLCTSKCTSSCTSBNFKB1

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