SCHEMBL6590768

SCHEMBL6590768

CC(C)C(C)(C)C[C@H](NC(=O)Oc1ccsc1)C(=O)NC1C(=O)COC1CN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.50
CTSS P25774 20/20 0.50
CTSK P43235 20/20 0.50

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
SCHEMBL6588785 0.93 CTSL (0.58) CTSLCTSSCTSK
SCHEMBL6588768 0.91 CTSL (0.52) CTSLCTSSCTSK
SCHEMBL6591732 0.90 CTSL (0.62) CTSLCTSSCTSK
SCHEMBL6590851 0.89 CTSK (0.48) CTSLCTSSCTSK
SCHEMBL6594154 0.88 CTSL (0.44) CTSLCTSSCTSK
SCHEMBL6591250 0.88 CTSL (0.44) CTSLCTSSCTSK
SCHEMBL6593114 0.88 CTSK (0.47) CTSLCTSSCTSK
SCHEMBL6588754 0.87 CTSL (0.43) CTSLCTSSCTSK
SCHEMBL6484610 0.87 CTSL (0.68) CTSLCTSSCTSK
SCHEMBL6590929 0.86 CTSK (0.46) 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