SCHEMBL28534814

SCHEMBL28534814

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
SLC1A3 P43003 3/20 0.37
SLC1A2 P43004 3/20 0.37
SLC1A1 P43005 2/20 0.34
CACNA2D1 P54289 2/20 0.33
RNPEP Q9H4A4 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
ANPEP P15144 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
LAP3 P28838 3/20 0.31
GRIK1 P39086 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
SCHEMBL3066899 0.86 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
SCHEMBL28564227 0.85 SLC7A5 (0.47) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
SCHEMBL15173244 0.76 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
SCHEMBL15173245 0.76 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
SCHEMBL10588085 0.76 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
SCHEMBL4658496 0.75 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL8585917 0.74 SLC7A5 (0.53) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
SCHEMBL3056494 0.74 SLC7A5 (0.57) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
SCHEMBL28542697 0.72
SCHEMBL6948925 0.70 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108017555-B Beta-hydroxybutyryl-amino acid compound and preparation method and application thereof 郑州海斯威生物技术有限公司 2021-03-26 CN disclosed