SCHEMBL16183228

SCHEMBL16183228

C#Cc1ccc(C#Cc2ccc(CC(NC(=O)OC(C)(C)C)C(=O)OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.51
CTSS P25774 7/20 0.49
CTSK P43235 6/20 0.49
CTSB P07858 2/20 0.48
CTSL P07711 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 1/20 0.44
ACACB O00763 2/20 0.44
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL10081604 0.93 CTSS (0.56) KLK5CTSSCTSKCTSBCTSL
SCHEMBL28472380 0.89 KLK5 (0.60) KLK5CTSSCTSKCTSBCTSL
SCHEMBL10077576 0.89 CTSS (0.50) CTSSCTSKCTSBCTSLITGB3
SCHEMBL13651743 0.89 KLK5 (0.54) KLK5CTSSCTSKCTSBCTSL
SCHEMBL2359788 0.87 CTSS (0.50) KLK5CTSSCTSKCTSBCTSL
SCHEMBL27439689 0.85 ITGB3 (0.61) CTSSCTSKCTSBCTSLITGB3
SCHEMBL27439690 0.85 ITGB3 (0.61) CTSSCTSKCTSBCTSLITGB3
SCHEMBL29721558 0.85 KLK5 (0.50) KLK5CTSSCTSKCTSBCTSL
SCHEMBL31725971 0.85 CTSK (0.53) KLK5CTSSCTSKCTSBCTSL
SCHEMBL16935712 0.84 CTSS (0.58) KLK5CTSSCTSKCTSBCTSL

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
US-20150198552-A9 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2015-07-16 US disclosed
US-8951400-B2 Chemistry used in biosensors OHMX CORPORATION (US) 2015-02-10 US disclosed
US-20140311922-A1 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2014-10-23 US disclosed