SCHEMBL3835915

SCHEMBL3835915

CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)ON1CCOCC1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.80
CTSL P07711 18/20 0.80
CTSK P43235 16/20 0.80

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
SCHEMBL3840952 0.90 CTSS (0.82) CTSSCTSLCTSK
SCHEMBL13232135 0.89 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3021871 0.83 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3021869 0.83 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3837674 0.81 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL3022159 0.80 CTSS (0.68) CTSSCTSLCTSK
SCHEMBL3839482 0.80 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL13921072 0.79 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3840386 0.78 CTSS (0.72) CTSSCTSLCTSK
SCHEMBL3019025 0.78 CTSS (0.85) CTSSCTSLCTSK

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-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP claimed