SCHEMBL5551900

SCHEMBL5551900

CC(=O)N(C(=O)C(N)CC(C)C)C(CC(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
SLC1A3 P43003 4/20 0.42
SLC1A2 P43004 4/20 0.42
SLC1A1 P43005 3/20 0.40
RNPEP Q9H4A4 4/20 0.37
ANPEP P15144 4/20 0.37
DNPEP Q9ULA0 2/20 0.37
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
LAP3 P28838 1/20 0.33
CPA1 P15085 1/20 0.33

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
SCHEMBL3056494 0.91 SLC7A5 (0.57) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL29112233 0.89 SLC7A5 (0.47) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL29112238 0.89 SLC7A5 (0.47) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL3381469 0.85 SLC1A2 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL21049239 0.84 SLC7A5 (0.42) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL19858949 0.83 RNPEP (0.43) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL19858948 0.83 RNPEP (0.43) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL11196394 0.77 SLC7A5 (0.39) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL6122992 0.76 SLC1A2 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL3503689 0.75 SLC1A1 (0.34) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1

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-2013619-B1 METHODS FOR USING HUMAN EMBRYONIC STEM CELLS TO EVALUATE TOXICITY OF PHARMACEUTICAL COMPOUNDS & OTHER CHEMICALS WISCONSIN ALUMNI RES FOUND (US) 2017-10-11 EP disclosed
US-20140255969-A1 REAGENTS AND METHODS FOR USING HUMAN EMBRYONIC STEM CELLS TO EVALUATE TOXICITY OF PHARMACEUTICAL COMPOUNDS AND OTHER CHEMICALS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-11 US disclosed
US-8703483-B2 Reagents and methods for using human embryonic stem cells to evaluate toxicity of pharmaceutical compounds and other chemicals WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-04-22 US disclosed
US-20070248947-A1 Reagents and Methods for Using Human Embryonic Stem Cells to Evaluate Toxicity of Pharmaceutical Compounds and Other Chemicals WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-10-25 US disclosed