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SCHEMBL15327484

SCHEMBL15327484

CC(C)(C)C(=O)N1C[C@H](S(=O)(=O)c2ccc(OCC(F)(F)F)cc2C(F)(F)F)C[C@@H]1OC(=O)NC1(C#N)CC1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.52
▸ CTSL P07711 9/20 0.52

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
SCHEMBL15327372 0.92 CTSS (0.61) CTSSCTSL
SCHEMBL15327413 0.91 CTSS (0.52) CTSSCTSL
SCHEMBL15327479 0.90 CTSS (0.52) CTSSCTSL
SCHEMBL15327280 0.90 CTSS (0.63) CTSS
SCHEMBL694812 0.89 CTSS (0.63) CTSSCTSL
SCHEMBL15327494 0.84 CTSS (0.61) CTSSCTSL
SCHEMBL15327277 0.83 CTSS (0.62) CTSSCTSL
SCHEMBL15327395 0.83 CTSS (0.60) CTSSCTSL
SCHEMBL15327313 0.83 CTSS (0.63) CTSSCTSL
SCHEMBL15327553 0.83 CTSS (0.58) CTSSCTSL

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-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 — — EP claimed