SCHEMBL28038631

SCHEMBL28038631

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.43
BHMT Q93088 1/20 0.35
DPP4 P27487 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
GABRP O00591 3/20 0.33
GABRD O14764 3/20 0.33
GABRA1 P14867 3/20 0.33
GABRB1 P18505 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRB2 P47870 3/20 0.33
GABRA4 P48169 3/20 0.33
GABRE P78334 3/20 0.33
GABRA6 Q16445 3/20 0.33
GABRG1 Q8N1C3 3/20 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
SCHEMBL28013447 0.95 GSR (0.50) GSRBHMTDPP4DPP7DPP8
SCHEMBL19547632 0.83 GSR (0.41) GSRDPP4DPP7DPP8DPP9
SCHEMBL28445648 0.82 BHMT (0.37) BHMTGABRPGABRDGABRA1GABRB1
SCHEMBL28445647 0.82 BHMT (0.37) BHMTGABRPGABRDGABRA1GABRB1
SCHEMBL8778639 0.80 GSR (0.45) GSRDPP4DPP7DPP8DPP9
SCHEMBL8778638 0.80 GSR (0.45) GSRDPP4DPP7DPP8DPP9
SCHEMBL28038714 0.80 DPP7 (0.36) BHMTDPP7GNAI3GNAO1GNAI1
SCHEMBL17225059 0.79 BHMT (0.44) BHMTGABRPGABRDGABRA1GABRB1
SCHEMBL19459581 0.78 NPY4R (0.38) DPP7
SCHEMBL28276618 0.78 NPY4R (0.38) DPP7

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 7 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-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-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