SCHEMBL6589490

SCHEMBL6589490

CC(C)C(C)(C)C[C@H](NC(=O)Oc1cc[nH]c1)C(=O)NC1C(=O)COC1CN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 18/20 0.39
CTSK P43235 18/20 0.39
CTSS P25774 17/20 0.39
HRH2 P25021 2/20 0.32
HRH1 P35367 2/20 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
SCHEMBL6591052 0.93 CTSL (0.46) CTSLCTSKCTSS
SCHEMBL6590369 0.91 CTSL (0.41) CTSLCTSKCTSS
SCHEMBL6590400 0.90 CTSL (0.49) CTSLCTSKCTSS
SCHEMBL6588689 0.89 CTSK (0.38) CTSLCTSKCTSS
SCHEMBL6590302 0.88 CTSK (0.34) CTSLCTSKCTSS
SCHEMBL6589183 0.88 CTSK (0.34) CTSLCTSKCTSS
SCHEMBL6592875 0.88 CTSK (0.37) CTSLCTSKCTSS
SCHEMBL6591389 0.87 CTSL (0.33) CTSLCTSKCTSS
SCHEMBL6476297 0.87 CTSL (0.48) CTSLCTSKCTSS
SCHEMBL6591740 0.86 CTSK (0.36) 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