SCHEMBL6589067

SCHEMBL6589067

CC(C)C(C)CC[C@H](NC(=O)ON1CCOCC1)C(=O)N[C@@H]1C(=O)CO[C@H]1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.31
CTSS P25774 5/20 0.31
CTSB P07858 3/20 0.31
CTSL P07711 2/20 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
SCHEMBL6592927 0.92 CTSS (0.35) CTSKCTSSCTSBCTSL
SCHEMBL6591046 0.91 CTSK (0.35) CTSKCTSSCTSBCTSL
SCHEMBL6590422 0.90 CTSL (0.40) CTSKCTSSCTSL
SCHEMBL6476151 0.85 CTSS (0.42) CTSKCTSSCTSL
SCHEMBL6594620 0.85 CTSL (0.32) CTSKCTSSCTSL
SCHEMBL6592618 0.85 CTSS (0.43) CTSKCTSSCTSBCTSL
SCHEMBL6588287 0.84 CTSK (0.36) CTSKCTSSCTSBCTSL
SCHEMBL6589060 0.82 CTSK (0.38) CTSKCTSSCTSBCTSL
SCHEMBL6588937 0.82 CTSS (0.41) CTSKCTSSCTSL
SCHEMBL6586623 0.81 CTSL (0.40) 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