SCHEMBL6589313

SCHEMBL6589313

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 18/20 0.32
CTSK P43235 18/20 0.32
CTSS P25774 17/20 0.32

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
SCHEMBL6590307 0.93 CTSL (0.34) CTSLCTSKCTSS
SCHEMBL6594928 0.92 CTSK (0.35) CTSLCTSKCTSS
SCHEMBL6590703 0.90 CTSL (0.42) CTSLCTSKCTSS
SCHEMBL6591525 0.86 CTSL (0.35) CTSLCTSKCTSS
SCHEMBL6590208 0.85 CTSL (0.46) CTSLCTSKCTSS
SCHEMBL6591364 0.85 CTSL (0.35) CTSLCTSKCTSS
SCHEMBL6591197 0.85 CTSL (0.39) CTSLCTSKCTSS
SCHEMBL6594541 0.85 CTSL (0.32) CTSLCTSKCTSS
SCHEMBL6590249 0.85 CTSL (0.42) CTSLCTSKCTSS
SCHEMBL6475857 0.84 CTSK (0.41) CTSLCTSKCTSS

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