SCHEMBL3968790

SCHEMBL3968790

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.46
SLC7A5 Q01650 1/20 0.46
ALDH1A1 P00352 2/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
KISS1R Q969F8 1/20 0.38
CPA1 P15085 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL27928260 0.83 TP53 (0.39) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL11449757 0.83 NAALAD2 (0.43) RNPEPSLC7A5TP53
SCHEMBL27815325 0.81 RNPEP (0.43) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL27482302 0.79 SLC1A3 (0.33) RNPEPSLC7A5SLC1A3SLC1A2ADRA1A
SCHEMBL14146211 0.78 RNPEP (0.44) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL21518045 0.78 SLC1A3 (0.41) RNPEPSLC7A5SLC1A3SLC1A2TP53
SCHEMBL5720466 0.78 RNPEP (0.44) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL4052420 0.78 GABRR1 (0.35) RNPEPSLC7A5SLC1A3SLC1A2CACNA2D1
SCHEMBL27669445 0.75 OR51E2 (0.42)
SCHEMBL28233662 0.75 AKR1B1 (0.42)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104685059-A Biosynthetic pathways, recombinant cells, and methods UNIV MINNESOTA 2015-06-03 CN claimed
CN-102459621-B A method for the preparation of 2-keto carboxylic acid EVONIK DEGUSSA GMBH 2015-01-28 CN claimed
CN-102459621-A Process for preparing 2-ketocarboxylic acids EVONIK DEGUSSA GMBH 2012-05-16 CN claimed
CN-102656273-B Production of fatty acid derivatives REG Life Sciences, LLC (US) 2016-05-25 CN disclosed
CN-103314101-B The bio-fuel of the recombinant microorganism fermenting by protein biomass and chemical production THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-18 CN disclosed
CN-104685059-A Biosynthetic pathways, recombinant cells, and methods UNIV MINNESOTA 2015-06-03 CN disclosed
CN-102459621-B A method for the preparation of 2-keto carboxylic acid EVONIK DEGUSSA GMBH 2015-01-28 CN disclosed
CN-103314101-A Biofuel and chemical production by recombinant microorganisms via fermentation of proteinacious biomass UNIV CALIFORNIA 2013-09-18 CN disclosed
CN-101743232-B Compounds and methods for modulating fxr LILLY CO ELI 2013-03-06 CN disclosed
CN-102656273-A Production of fatty acid derivatives LS9 INC 2012-09-05 CN disclosed
CN-102459569-A Production of fatty acid derivatives LS9 INC 2012-05-16 CN disclosed
CN-102264910-A Methods and compositions for producing fatty alcohols 2011-11-30 CN disclosed
CN-101448791-B Fxr agonists LILLY CO ELI 2011-11-16 CN disclosed
CN-102232110-A Methods and compositions for producing fatty aldehydes LS9 INC 2011-11-02 CN disclosed
CN-101743232-A Regulate the Compounds and methods for of FXR LILLY CO ELI 2010-06-16 CN disclosed
US-7544748-B2 Components and catalysis for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2009-06-09 US disclosed
CN-101448791-A FXR agonists LILLY CO ELI (US) 2009-06-03 CN disclosed
US-20070208150-A1 Components and Catalysis for the Polymerization of Olefins BASELL POLIOLEFINE ITALIA S.R.L (IT) 2007-09-06 US disclosed
CN-1377266-A Pyruvate ester composition and method of use for resuscitation after events of ischemia and reperfusion MASSTRACE INC (CA) 2002-10-30 CN disclosed
CN-1192244-A Process for obtaining acyloins, pyruvate decarboxylases suitable therefor and their production and DNA sequences of the PDC gene coding them FORSCHUNGSZENTRUM JUELICH GMBH (DE) 1998-09-02 CN disclosed