SCHEMBL3396664

SCHEMBL3396664

CC(C)C(N)C(=O)N(C(=O)CN)C(CO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
DPP4 P27487 1/20 0.36
GAA P10253 1/20 0.32
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
USP2 O75604 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30

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
SCHEMBL2950122 0.88 DPP4 (0.33) DPP4GAA
SCHEMBL18613831 0.81 SLC7A5 (0.43) SLC7A5DPP4GAASLC1A3SLC1A2
SCHEMBL4097963 0.81 USP2 (0.32) USP2SLCO1B1
SCHEMBL4082389 0.80 OR51E2 (0.33) GAASLC1A1USP2SLCO1B1
SCHEMBL15756799 0.80 OR51E2 (0.33) GAASLC1A1USP2SLCO1B1
SCHEMBL4937270 0.78 SLC7A5 (0.46) SLC7A5DPP4SLC1A3SLC1A2SLC1A1
SCHEMBL3396689 0.77 SLC7A5 (0.39) SLC7A5DPP4GAASLC1A3SLC1A2
SCHEMBL3396707 0.74 SLC7A5 (0.37) SLC7A5DPP4SLC1A3SLC1A2SLC1A1
SCHEMBL18613506 0.72 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL31116850 0.71 SLC7A5 (0.52) SLC7A5DPP4SLC1A3SLC1A2SLC1A1

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