SCHEMBL6590653

SCHEMBL6590653

CC(C)C(C)(C)C[C@H](NC(=O)Oc1ccsc1)C(=O)N[C@@H]1C(=O)CO[C@H]1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.49
CTSL P07711 10/20 0.49
CTSS P25774 9/20 0.49
CTSB P07858 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL6594376 0.92 CTSS (0.58) CTSKCTSLCTSSCTSBNFKB1
SCHEMBL6591732 0.90 CTSL (0.62) CTSKCTSLCTSS
SCHEMBL6588896 0.90 CTSK (0.51) CTSKCTSLCTSS
SCHEMBL6590280 0.87 CTSK (0.47) CTSKCTSLCTSSCTSBNFKB1
SCHEMBL6590299 0.86 CTSL (0.51) CTSKCTSLCTSS
SCHEMBL6594147 0.86 CTSK (0.46) CTSKCTSLCTSSCTSB
SCHEMBL6592330 0.86 CTSK (0.43) CTSKCTSLCTSS
SCHEMBL6590768 0.85 CTSL (0.50) CTSKCTSLCTSS
SCHEMBL6590249 0.85 CTSL (0.42) CTSKCTSLCTSS
SCHEMBL6591197 0.85 CTSL (0.39) CTSKCTSLCTSSCTSBNFKB1

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