SCHEMBL6590249

SCHEMBL6590249

CC(C)C(C)CC[C@H](NC(=O)Oc1ccsc1)C(=O)N[C@@H]1C(=O)CO[C@H]1C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.42
CTSS P25774 8/20 0.42
CTSK P43235 8/20 0.42

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
SCHEMBL6592330 0.92 CTSK (0.43) CTSLCTSSCTSK
SCHEMBL6592351 0.90 CTSL (0.54) CTSLCTSSCTSK
SCHEMBL6590918 0.86 CTSL (0.44) CTSLCTSSCTSK
SCHEMBL6594376 0.85 CTSS (0.58) CTSLCTSSCTSK
SCHEMBL6588754 0.85 CTSL (0.43) CTSLCTSSCTSK
SCHEMBL6590653 0.85 CTSK (0.49) CTSLCTSSCTSK
SCHEMBL6589313 0.85 CTSL (0.32) CTSLCTSSCTSK
SCHEMBL6477750 0.84 CTSK (0.59) CTSLCTSSCTSK
SCHEMBL6594541 0.84 CTSL (0.32) CTSLCTSSCTSK
SCHEMBL6588896 0.83 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