SCHEMBL6048161

SCHEMBL6048161

CC(C)(C)OC(=O)N[C@@H](C[Si](C)(C)C)C(=O)N(C#N)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.46
CTSK P43235 15/20 0.46
CTSL P07711 4/20 0.40
CTSB P07858 3/20 0.40

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
SCHEMBL6660147 0.85 CTSS (0.47) CTSSCTSKCTSLCTSB
SCHEMBL6657069 0.81 CTSS (0.48) CTSSCTSKCTSLCTSB
SCHEMBL6048166 0.76 CTSK (0.38) CTSSCTSKCTSLCTSB
SCHEMBL5696941 0.74 PPARG (0.43) CTSSCTSKCTSLCTSB
SCHEMBL2367381 0.72 CTSK (0.48) CTSSCTSKCTSLCTSB
SCHEMBL903742 0.72 CTSK (0.48) CTSSCTSKCTSLCTSB
SCHEMBL2367189 0.72 CTSK (0.48) CTSSCTSKCTSLCTSB
SCHEMBL3820796 0.70 CTSK (0.39) CTSSCTSKCTSLCTSB
SCHEMBL5517840 0.70 CTSL (0.72) CTSSCTSKCTSLCTSB
SCHEMBL5517842 0.70 CTSL (0.72) CTSSCTSKCTSLCTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed