SCHEMBL3937560

SCHEMBL3937560

CCOC(=O)C(C)CN=NCC(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GABRR1 P24046 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.33
PIN1 Q13526 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HPGD P15428 1/20 0.33
SOAT1 P35610 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL530505 0.92 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C19GAALMNA
SCHEMBL541691 0.82 GABRR1 (0.46) GABRR1CYP1A2ACE2
SCHEMBL1702254 0.82 GABRR1 (0.35) ALDH1A1GABRR1CYP1A2KMT2A
SCHEMBL7530179 0.79 GABRR1 (0.50) ALDH1A1CYP3A4CYP2C19GAALMNA
Nitrous Acid SCHEMBL4311801 0.78 GABRR1 (0.42) ALDH1A1GABRR1CYP1A2ACE2
SCHEMBL6064332 0.78 TDP1 (0.38) CYP3A4GABRR1CYP1A2
SCHEMBL29054984 0.77 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C19GAALMNA
SCHEMBL11072835 0.77 CYP3A4 (0.50) ALDH1A1CYP3A4CYP2C19GAALMNA
SCHEMBL11072837 0.77 CYP3A4 (0.50) ALDH1A1CYP3A4CYP2C19GAALMNA
SCHEMBL14616914 0.75 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C19GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265474-A1 Method for Producing 4-(Methylthio)Butane-1,2-Diol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-15 US claimed
EP-1790632-A1 METHOD FOR PRODUCING 4-(METHYLTHIO)BUTANE-1,2-DIOL Sumitomo Chemical Company, Limited (JP) 2007-05-30 EP claimed
US-4723035-A Method for racemization of chrysanthemic acid or its ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-02-02 US claimed
CN-108250369-B Preparation method of low-odor high-weather-resistance polymer polyol 万华化学集团股份有限公司 2021-03-09 CN disclosed
US-20150366643-A1 TOOTH VENEER ELEMENT, AND METHOD FOR THE USE AND PRODUCTION THEREOF COLTÈNE/WHALEDENT AG (CH) 2015-12-24 US disclosed
US-20130143279-A1 PROCESS FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-06 US disclosed
EP-2576504-A1 PROCESS FOR PRODUCING METHIONINE Sumitomo Chemical Co., Ltd (JP) 2013-04-10 EP disclosed
WO-2011152540-A1 PROCESS FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-08 WO disclosed
US-7632664-B2 Method for producing 2-hydroxy-4-(methylthio)butyric acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-15 US disclosed
EP-1801227-B1 METHOD FOR PRODUCING 2-HYDROXY-4-(METHYLTHIO)BUTANOIC ACID SUMITOMO CHEMICAL CO (JP) 2009-04-15 EP disclosed
US-20090053781-A1 Method for Producing 2-hydroxy-4-(methylthio)butyric Acid SUMITOMO CHEMICAL COMPANY, LIMITED 2009-02-26 US disclosed
EP-0261824-A1 Method for racemization of optically active chrysanthemic acid or its ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-03-30 EP disclosed
US-4723035-A Method for racemization of chrysanthemic acid or its ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-02-02 US disclosed
EP-0235940-A1 Method for racemization of chrysanthemic acid or its ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-09 EP disclosed
US-4683248-A PEROXIDES AND UNSATURATED COMPOUNDS LUPEROX GMBH (DE) 1987-07-28 US disclosed
US-4448945-A SOLUBLE IN ORGANIC SOLVENTS, CLEAR SOLUTIONS AND FILMS ROHM GMBH (DE) 1984-05-15 US disclosed
US-4119680-A SULFONATE MONOMER, UNSATURATED DICARBOXYLIC ACIDS EASTMAN KODAK COMPANY (US) 1978-10-10 US disclosed
US-4059574-A POLYMERIZATION CATALYSTS ROHM GMBH (DT) 1977-11-22 US disclosed
US-4042558-A Filled polymerization products based on carbodiimide copolymers BAYER AKTIENGESELLSCHAFT (DT) 1977-08-16 US disclosed
US-3948866-A Polymerization with the aid of macromolecule having both a monomer soluble portion and suspension soluble portion ROHM GMBH (DT) 1976-04-06 US disclosed