SCHEMBL3840952

SCHEMBL3840952

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

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.82
CTSL P07711 19/20 0.82
CTSK P43235 16/20 0.82

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
SCHEMBL13921072 0.90 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3835915 0.90 CTSS (0.80) CTSSCTSLCTSK
SCHEMBL3024914 0.84 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3022647 0.84 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3022645 0.84 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3013752 0.82 CTSL (0.70) CTSSCTSLCTSK
SCHEMBL13232135 0.79 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL3837674 0.77 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL3839482 0.76 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL3840386 0.75 CTSS (0.72) 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