SCHEMBL6690545

SCHEMBL6690545

COc1cccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](CC(=O)OC(C)(C)C)CC2CNc3ccc(F)cc32)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.53
CTSK P43235 7/20 0.53
CTSL P07711 13/20 0.49

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
SCHEMBL6687569 0.92 CTSS (0.52) CTSSCTSKCTSL
SCHEMBL6691403 0.92 CTSS (0.62) CTSSCTSKCTSL
SCHEMBL6694463 0.89 CTSS (0.54) CTSSCTSKCTSL
SCHEMBL6691400 0.81 CTSL (0.44) CTSSCTSKCTSL
SCHEMBL6689440 0.81 CTSS (0.57) CTSSCTSKCTSL
SCHEMBL6690823 0.81 CTSS (0.66) CTSSCTSKCTSL
SCHEMBL6693567 0.80 CTSS (0.68) CTSSCTSKCTSL
SCHEMBL6693488 0.79 CTSS (0.61) CTSSCTSKCTSL
SCHEMBL4799966 0.78 CTSS (0.85) CTSSCTSKCTSL
SCHEMBL4799961 0.78 CTSS (0.85) 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
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed