SCHEMBL5582070

SCHEMBL5582070

C[Si](C)(C)CC(NC(=O)c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1)C(=O)NC1(C#N)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.53
CTSL P07711 15/20 0.53
CTSS P25774 14/20 0.53
CTSB P07858 11/20 0.53
CTSV O60911 1/20 0.51
CTSF Q9UBX1 1/20 0.51

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
SCHEMBL5520635 0.90 CTSL (0.62) CTSKCTSLCTSSCTSB
SCHEMBL5581282 0.88 CTSL (0.58) CTSKCTSLCTSSCTSB
SCHEMBL6048160 0.85 CTSL (0.54) CTSKCTSLCTSSCTSB
SCHEMBL5519863 0.84 CTSL (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5519856 0.84 CTSL (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14523327 0.84 CTSL (0.52) CTSKCTSLCTSSCTSB
SCHEMBL5520008 0.82 CTSL (0.57) CTSKCTSLCTSSCTSB
SCHEMBL5520013 0.82 CTSL (0.57) CTSKCTSLCTSSCTSB
SCHEMBL5581326 0.81 CTSL (0.54) CTSKCTSLCTSSCTSB
SCHEMBL5523705 0.79 CTSL (0.56) CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007519744-A 2007-07-19 JP claimed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP claimed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO claimed