SCHEMBL6687569

SCHEMBL6687569

CCOC(=O)C[C@H](CC1CNc2ccc(F)cc21)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cccc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.52
CTSK P43235 7/20 0.52
CTSL P07711 13/20 0.52
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL6690545 0.92 CTSS (0.53) CTSSCTSKCTSL
SCHEMBL6691403 0.92 CTSS (0.62) CTSSCTSKCTSL
SCHEMBL6694463 0.88 CTSS (0.54) CTSSCTSKCTSL
SCHEMBL6693567 0.82 CTSS (0.68) CTSSCTSKCTSL
SCHEMBL6693488 0.81 CTSS (0.61) CTSSCTSKCTSL
SCHEMBL6689440 0.80 CTSS (0.57) CTSSCTSKCTSL
SCHEMBL6690823 0.80 CTSS (0.66) CTSSCTSKCTSL
SCHEMBL4795349 0.78 CTSS (0.84) CTSSCTSKCTSL
SCHEMBL4795344 0.78 CTSS (0.84) CTSSCTSKCTSL
SCHEMBL6691378 0.73 CTSS (0.60) 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