SCHEMBL6593379

SCHEMBL6593379

CCC(C)(C)C[C@H](NC(=O)Oc1ccoc1)C(=O)N[C@@H]1C(=O)CO[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.40
CTSS P25774 20/20 0.40
CTSK P43235 20/20 0.40

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
SCHEMBL6590208 0.92 CTSL (0.46) CTSLCTSSCTSK
SCHEMBL6590795 0.91 CTSL (0.50) CTSLCTSSCTSK
SCHEMBL6591197 0.89 CTSL (0.39) CTSLCTSSCTSK
SCHEMBL6589053 0.89 CTSK (0.37) CTSLCTSSCTSK
SCHEMBL6591090 0.88 CTSK (0.36) CTSLCTSSCTSK
SCHEMBL6592634 0.87 CTSK (0.37) CTSLCTSSCTSK
SCHEMBL6595613 0.87 CTSL (0.42) CTSLCTSSCTSK
SCHEMBL6589788 0.85 CTSL (0.41) CTSLCTSSCTSK
SCHEMBL6592517 0.85 CTSL (0.40) CTSLCTSSCTSK
SCHEMBL6588896 0.85 CTSK (0.51) CTSLCTSSCTSK

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