SCHEMBL28013447

SCHEMBL28013447

CC(CC(=O)O)OC(=O)[C@@H](N)CCCCN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.50
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
CPB2 Q96IY4 2/20 0.36
DPP7 Q9UHL4 6/20 0.35
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 3/20 0.35
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
BHMT Q93088 1/20 0.34
DPP4 P27487 1/20 0.34
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FOLH1 Q04609 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLG P00747 1/20 0.33
LMNA P02545 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
SCHEMBL28038631 0.95 GSR (0.43) GSRGNAI3GNAO1GNAI1CPB2
SCHEMBL23408674 0.83 GSR (0.48) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL19547631 0.83 GSR (0.48) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL15459533 0.83 GSR (0.48) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL1003010 0.81 GSR (0.53) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL1603054 0.81 GSR (0.53) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL6437091 0.81 GSR (0.53) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL28445648 0.81 BHMT (0.37) BHMTLMNAALOX15
SCHEMBL28445647 0.81 BHMT (0.37) BHMTLMNAALOX15
SCHEMBL27479105 0.80 GSR (0.58) GSRGNAI3GNAO1GNAI1RNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105050594-B For generating the composition and method that increase with lasting ketosis 南佛罗里达大学 2019-11-12 CN claimed
CN-109394745-A A kind of composition comprising L-carnitine and beta-hydroxy-butanoic acid compound 博瑞生物医药(苏州)股份有限公司 2019-03-01 CN claimed
CN-105050594-A Compositions and methods for producing elevated and sustained ketosis UNIV SOUTH FLORIDA 2015-11-11 CN claimed
CN-112341331-B 3-hydroxybutyrate and preparation method and application thereof 辽宁科硕营养科技股份有限公司 2023-04-07 CN disclosed
CN-112341331-A 3-hydroxybutyrate and preparation method and application thereof 辽宁科硕营养科技股份有限公司 2021-02-09 CN disclosed
CN-105050594-B For generating the composition and method that increase with lasting ketosis 南佛罗里达大学 2019-11-12 CN disclosed
CN-109734575-A A method of preparing 3-hydroxybutyrate amino-acid salt compound 上海欣海国际贸易有限公司 2019-05-10 CN disclosed
CN-109394744-A It is a kind of to include L-carnitine-beta-hydroxy-butanoic acid salt composition and preparation method 博瑞生物医药(苏州)股份有限公司 2019-03-01 CN disclosed
CN-109394745-A A kind of composition comprising L-carnitine and beta-hydroxy-butanoic acid compound 博瑞生物医药(苏州)股份有限公司 2019-03-01 CN disclosed
CN-105050594-A Compositions and methods for producing elevated and sustained ketosis UNIV SOUTH FLORIDA 2015-11-11 CN disclosed
CN-104592379-A Method and reagent for detecting protein lysine-3-hydroxybutyrylation JINGJIE PTM BIOLAB HANGZHOU CO LTD 2015-05-06 CN disclosed