SCHEMBL3400916

SCHEMBL3400916

CCCC(NC(=O)OC(C)(C)C)NC(=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.55
CTSS P25774 2/20 0.46
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL19500010 0.79 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL28244975 0.78 CTSK (0.59) CTSKCTSS
SCHEMBL14533725 0.76 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL13669545 0.74 CTSK (0.54) CTSKCTSSCA1CA2CA7
SCHEMBL5573037 0.74 CA1 (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL13636358 0.73 CTSK (0.53) CTSKCTSSCA1CA2CA7
SCHEMBL17980908 0.73 CTSK (0.53) CTSKCTSSCA1CA2CA7
SCHEMBL14274530 0.73 CTSK (0.53) CTSKCTSSCA1CA2CA7
SCHEMBL1843190 0.73 CTSK (0.53) CTSKCTSSCA1CA2CA7
SCHEMBL10882799 0.73 CTSK (0.53) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2248821-B1 SUBSTRATE FOR ASSAYING -GLUCAN AND/OR ENDOTOXIN AND ASSAY METHOD WAKO PURE CHEM IND LTD (JP) 2015-01-28 EP disclosed
US-8546072-B2 Substrate for assaying β-glucan and/or endotoxin and assay method WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
US-20100330700-A1 SUBSTRATE FOR ASSAYING BETA-GLUCAN AND/OR ENDOTOXIN AND ASSAY METHOD WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-30 US disclosed
EP-2248821-A1 SUBSTRATE FOR ASSAYING -GLUCAN AND/OR ENDOTOXIN AND ASSAY METHOD Wako Pure Chemical Industries, Ltd. (JP) 2010-11-10 EP disclosed