SCHEMBL3840211

SCHEMBL3840211

Cc1cc(NC[C@H](C)NC(=O)[C@H](CC2CCCCC2)NC(=O)ON2CCOCC2)no1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.50
CTSL P07711 14/20 0.50
CTSK P43235 11/20 0.50
KLK7 P49862 4/20 0.47

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
SCHEMBL8290917 0.87 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL3837674 0.81 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL3010805 0.80 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL3010810 0.80 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL3839482 0.80 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL3010808 0.80 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL3836140 0.79 CTSS (0.51) CTSSCTSLCTSK
SCHEMBL3835476 0.79 CTSS (0.48) CTSSCTSLCTSK
SCHEMBL3023325 0.78 ALDH1A1 (0.49) CTSSCTSLCTSKKLK7
SCHEMBL3837319 0.73 CTSS (0.47) 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