SCHEMBL6590280

SCHEMBL6590280

C[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC(C)(C)c1ccccc1)NC(=O)Oc1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.47
CTSS P25774 11/20 0.47
CTSL P07711 9/20 0.47
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CTSB P07858 2/20 0.32
SCN9A Q15858 2/20 0.32
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32
PGR P06401 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
SCHEMBL6592887 0.91 CTSL (0.59) CTSKCTSSCTSL
SCHEMBL6594376 0.90 CTSS (0.58) CTSKCTSSCTSLNFKB1NFKB2
SCHEMBL6594147 0.89 CTSK (0.46) CTSKCTSSCTSLCTSBSCN9A
SCHEMBL6590653 0.87 CTSK (0.49) CTSKCTSSCTSLNFKB1NFKB2
SCHEMBL6588896 0.87 CTSK (0.51) CTSKCTSSCTSL
SCHEMBL6594735 0.87 CTSK (0.45) CTSKCTSSCTSLCTSBSCN9A
SCHEMBL6592443 0.87 CTSL (0.49) CTSKCTSSCTSLNFKB1NFKB2
SCHEMBL6590851 0.86 CTSK (0.48) CTSKCTSSCTSLCTSB
SCHEMBL6592634 0.86 CTSK (0.37) CTSKCTSSCTSLNFKB1NFKB2
SCHEMBL6484239 0.85 CTSK (0.65) CTSKCTSSCTSL

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