SCHEMBL3839482

SCHEMBL3839482

COc1ccc(NC[C@H](C)NC(=O)[C@H](CC2CCCC2)NC(=O)ON2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.64
CTSL P07711 17/20 0.64
CTSK P43235 15/20 0.64

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
SCHEMBL3837674 0.99 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL8288964 0.88 CTSS (0.81) CTSSCTSLCTSK
SCHEMBL8290915 0.87 CTSS (0.81) CTSSCTSLCTSK
SCHEMBL3840386 0.86 CTSS (0.72) CTSSCTSLCTSK
SCHEMBL3840211 0.80 CTSS (0.50) CTSSCTSLCTSK
SCHEMBL3835915 0.80 CTSS (0.80) CTSSCTSLCTSK
SCHEMBL3836140 0.78 CTSS (0.51) CTSSCTSLCTSK
SCHEMBL3835476 0.78 CTSS (0.48) CTSSCTSLCTSK
SCHEMBL3020740 0.77 CTSS (0.55) CTSSCTSLCTSK
SCHEMBL3840952 0.76 CTSS (0.82) 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