SCHEMBL126376

SCHEMBL126376

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

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.75
CHRM1 P11229 1/20 0.75
TBXA2R P21731 1/20 0.75
ADRA1A P35348 1/20 0.75
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TET2 Q6N021 1/20 0.37
OR51E2 Q9H255 2/20 0.36
MAPK1 P28482 1/20 0.36
SLC13A3 Q8WWT9 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ACLY P53396 2/20 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
Meglutol SCHEMBL8718194 0.87 HMGCR (1.00) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Meglutol SCHEMBL28443 0.87 HMGCR (1.00) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Meglutol SCHEMBL30976339 0.80 HMGCR (0.75) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Meglutol SCHEMBL31372614 0.77 HMGCR (0.79) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL9907217 0.77 HMGCR (0.79) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL16005836 0.77 HMGCR (0.79) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL19359063 0.76 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL17227383 0.75 HMGCR (0.75) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL16882363 0.75 HMGCR (0.75) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL15693959 0.75 HMGCR (0.75) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089529-B1 PRODUCTION OF STEREOISOMERS OF MONATIN VIA D-TRYPTOPHAN CARGILL INC (US) 2019-03-20 EP disclosed
US-9719079-B2 Aldolases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-08-01 US disclosed
EP-3168299-A2 POLYPEPTIDES AND BIOSYNTHETIC PATHWAYS FOR THE PRODUCTION OF STEREOISOMERS OF MONATIN AND THEIR PRECURSORS Cargill, Incorporated (US) 2017-05-17 EP disclosed
EP-3153580-A2 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF Enzymes LLC (US) 2017-04-12 EP disclosed
US-9518280-B2 Aldolases, nucleic acids encoding them and methods for making and using them CARGILL, INCORPORATED (US) 2016-12-13 US disclosed
EP-2385108-B1 Aldolases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-11-23 EP disclosed
US-20160251643-A1 Aldolases, Nucleic Acids Encoding Them and Methods for Making and Using Them VERENIUM CORPORATION 2016-09-01 US disclosed
EP-2361976-B1 Polypeptides and biosynthetic pathways for the production of stereoisomers of monatin and their precursors CARGILL INC (US) 2016-05-25 EP disclosed
US-9290755-B2 Aldolases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-03-22 US disclosed
US-20150111260-A1 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM CARGILL, INCORPORATED 2015-04-23 US disclosed
WO-2007103989-A9 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORP (US) 2007-11-29 WO disclosed
WO-2007133183-A2 POLYPEPTIDES AND BIOSYNTHETIC PATHWAYS FOR THE PRODUCTION OF STEREOISOMERS OF MONATIN AND THEIR PRECURSORS CARGILL, INCORPORATED (US) 2007-11-22 WO disclosed
WO-2007133184-A2 POLYPEPTIDES AND BIOSYNTHETIC PATHWAYS FOR THE PRODUCTION OF STEREOISOMERS OF MONATIN AND THEIR PRECURSORS CARGILL, INCORPORATED (US) 2007-11-22 WO disclosed
WO-2007103389-A9 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM CARGILL INC (US) 2007-11-01 WO disclosed
WO-2007103389-A2 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM CARGILL, INCORPORATED (US) 2007-09-13 WO disclosed
WO-2007103989-A2 ALDOLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2007-09-13 WO disclosed
US-20060252135-A1 Polypeptides and biosynthetic pathways for the production of stereoisomers of monatin and their precursors CARGILL, INCORPORATED (US) 2006-11-09 US disclosed
EP-1678313-A2 PRODUCTION OF MONATIN AND MONATIN PRECURSORS CARGILL, INCORPORATED (US) 2006-07-12 EP disclosed
US-20050221455-A1 Production of monatin and monatin precursors CARGILL, INC. 2005-10-06 US disclosed
WO-2005042756-A2 PRODUCTION OF MONATIN AND MONATIN PRECURSORS CARGILL, INCORPORATED (US) 2005-05-12 WO disclosed