SCHEMBL6594541

SCHEMBL6594541

CC(C)C(C)CC[C@H](NC(=O)Oc1cc[nH]c1)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 6/20 0.32
CTSS P25774 6/20 0.32
CTSK P43235 6/20 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
SCHEMBL6594449 0.93 CTSK (0.33) CTSLCTSSCTSK
SCHEMBL6591380 0.92 CTSK (0.35) CTSLCTSSCTSK
SCHEMBL6589925 0.90 CTSL (0.42) CTSLCTSSCTSK
SCHEMBL6594223 0.85 CTSL (0.45) CTSLCTSSCTSK
SCHEMBL6591389 0.85 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL6590240 0.85 CTSL (0.38) CTSLCTSSCTSK
SCHEMBL6589313 0.85 CTSL (0.32) CTSLCTSSCTSK
SCHEMBL6485529 0.84 CTSK (0.40) CTSLCTSSCTSK
SCHEMBL6590249 0.84 CTSL (0.42) CTSLCTSSCTSK
SCHEMBL6592517 0.83 CTSL (0.40) 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