SCHEMBL5377248

SCHEMBL5377248

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.32
FFAR3 O14843 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL7081678 0.85 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19TP53CYP2D6
SCHEMBL30050299 0.74 CPT2 (0.41) ALDH1A1TSHRTP53
SCHEMBL1161008 0.74 CPT2 (0.41) ALDH1A1TSHRTP53
Water SCHEMBL28115838 0.72 CPT2 (0.40) ALDH1A1TSHRTP53
SCHEMBL15129922 0.71
SCHEMBL29013924 0.69 ALDH1A1 (0.33) ALDH1A1TSHRTP53FFAR3LCK
SCHEMBL263616 0.67
SCHEMBL7846935 0.67 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19TP53CYP2D6
SCHEMBL1576713 0.67
SCHEMBL1085851 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192753-B2 Modified threonine deaminase MONSANTO TECHNOLOGY LLC (US) 2007-03-20 US disclosed
US-20050268355-A1 Modified threonine deaminase MONSANTO TECHNOLOGY LLC. 2005-12-01 US disclosed
US-6946588-B2 Nucleic acid encoding a modified threonine deaminase and methods of use MONSANTO TECHNOLOGY LLC (US) 2005-09-20 US disclosed
US-20030028917-A1 Methods of optimizing substrate pools and biosynthesis of poly-beta-hydroxybutyrate-co-poly-beta-hydroxyvalerate in bacteria and plants MONSANTO TECHNOLOGY, LLC. 2003-02-06 US disclosed
US-6228623-B1 PLANT EXTRACTS CONTAINING BIODEGRADABLE POLYMERS MONSANTO COMPANY 2001-05-08 US disclosed
US-6091002-A GENERATING A TRANSFORMED PLANT BY INSERTION NUCLEOTIDE SEQUENCE INTO CELLS, ISOLATING TRANSFORMED CELLS, REGENERATING THE TRANSFORMED CELLS TO FORM TRANSFORMED PLANTS, DETECTING CELLS THAT PRODUCE POLYMER MONSANTO COMPANY (US) 2000-07-18 US disclosed
US-5959179-A Method for transforming soybeans MONSANTO COMPANY (US) 1999-09-28 US disclosed
US-5958745-A ISOLATED ALCALIGENES EUTROPHUS BKTB, BETA-KETOTHIOLASE; FOR GENETICALLY ENGINEERED PRODUCTION OF POLYESTER COPOLYMERS USEFUL AS BIODEGRADABLE PLASTICS AND ELASTOMERS MONSANTO COMPANY (US) 1999-09-28 US disclosed
US-5942660-A A PLANT HAVING A GENOME OF RECOMBINANT DNA ENCODING INCREASED LEVELS OF BETA-KETOTHIOLASE, A BETA-KETOACYL-COENZYME A REDUCTASE, A POLYHYDROXYALKANATE SYMTHASE AND A DEREGULATED THREONINE DEAMINASE MONSANTO COMPANY (US) 1999-08-24 US disclosed
WO-1998000557-A2 METHODS OF OPTIMIZING SUBSTRATE POOLS AND BIOSYNTHESIS OF POLY-β-HYDROXYBUTYRATE-CO-POLY-β-HYDROXYVALERATE IN BACTERIA AND PLANTS MONSANTO COMPANY (US) 1998-01-08 WO disclosed