SCHEMBL3840628

SCHEMBL3840628

C[C@@H](CNc1ccc(OC(F)F)cc1)NC(=O)OCCC(C)(C)CC(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.52
CTSK P43235 11/20 0.52
CTSL P07711 7/20 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
SCHEMBL3010225 0.78 CTSS (0.81) CTSSCTSKCTSL
SCHEMBL3010222 0.78 CTSS (0.81) CTSSCTSKCTSL
SCHEMBL3010218 0.78 CTSS (0.81) CTSSCTSKCTSL
SCHEMBL3835679 0.69 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL3839931 0.68 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL3020642 0.67 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL3020641 0.67 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL3020639 0.67 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL4798882 0.66 CTSS (0.48) CTSSCTSKCTSL
SCHEMBL13211446 0.65 CTSS (0.76) CTSSCTSKCTSL

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 disclosed