SCHEMBL1039974

SCHEMBL1039974

CC(=O)OC(O)C=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
GLA P06280 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
TNKS O95271 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PLIN1 O60240 1/20 0.42

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
SCHEMBL1039975 1.00 TDP1 (0.48) TDP1GLACYP1A2CYP3A4ALDH1A1
SCHEMBL7097856 0.85 TDP1 (0.52) TDP1GLACYP1A2CYP3A4ALDH1A1
SCHEMBL1199677 0.85 TDP1 (0.52) TDP1GLACYP1A2CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL6743369 0.84 TDP1 (0.50) TDP1GLACYP1A2CYP3A4ALDH1A1
SCHEMBL7028151 0.82 TDP1 (0.48) TDP1GLACYP1A2CYP3A4ALDH1A1
SCHEMBL7017483 0.82 TDP1 (0.48) TDP1GLACYP1A2CYP3A4ALDH1A1
SCHEMBL7022280 0.82 TDP1 (0.48) TDP1GLACYP1A2CYP3A4ALDH1A1
SCHEMBL12738779 0.82 TDP1 (0.48) TDP1GLACYP1A2CYP3A4ALDH1A1
SCHEMBL7026181 0.82 TDP1 (0.48) TDP1GLACYP1A2CYP3A4ALDH1A1
SCHEMBL7022285 0.82 TDP1 (0.48) TDP1GLACYP1A2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2701487-B1 POLYNUCLEOTIDES ENCODING ENZYMES FROM THE JUTE LIGNIN BIOSYNTHETIC PATHWAY BANGLADESH JUTE RES INST (BD) 2017-08-02 EP disclosed
US-9683241-B2 Polynucleotides encoding enzymes from the jute lignin biosynthetic pathway BANGLADESH JUTE RESEARCH INSTITUTE (BD) 2017-06-20 US disclosed
US-9388285-B2 Method for modifying lignin structure using monolignol ferulate conjugates WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-07-12 US disclosed
EP-3003337-A1 COMPOSITION FOR ENHANCING SEMEN QUALITY IN A MALE SUBJECT Nerthus ApS (DK) 2016-04-13 EP disclosed
EP-2954775-A1 POLYNUCLEOTIDES ENCODING ENZYMES FROM THE JUTE LIGNIN BIOSYNTHETIC PATHWAY Bangladesh Jute Research Institute (BD) 2015-12-16 EP disclosed
EP-2954774-A1 POLYNUCLEOTIDES ENCODING ENZYMES FROM THE JUTE LIGNIN BIOSYNTHETIC PATHWAY Bangladesh Jute Research Institute (BD) 2015-12-16 EP disclosed
EP-2949206-A1 POLYNUCLEOTIDES ENCODING ENZYMES FROM THE JUTE LIGNIN BIOSYNTHETIC PATHWAY Bangladesh Jute Research Institute (BD) 2015-12-02 EP disclosed
EP-2949205-A1 POLYNUCLEOTIDES ENCODING ENZYMES FROM THE JUTE LIGNIN BIOSYNTHETIC PATHWAY Bangladesh Jute Research Institute (BD) 2015-12-02 EP disclosed
WO-2014195479-A1 DRY PREPARATION OF ALPINIA GALANGA OR ALPINIA CONCHIGERA WITH HIGH CONTENT OF 1'S-1'-ACETOXYCHAVICOL ACETATE NERTHUS APS (DK) 2014-12-11 WO disclosed
WO-2014195469-A1 COMPOSITION FOR ENHANCING SEMEN QUALITY IN A MALE SUBJECT NERTHUS APS (DK) 2014-12-11 WO disclosed
US-20140344997-A1 POLYNUCLEOTIDES ENCODING ENZYMES FROM THE JUTE LIGNIN BIOSYNTHETIC PATHWAY BANGLADESH JUTE RESEARCH INSTITUTE (BD) 2014-11-20 US disclosed
EP-2701487-A2 POLYNUCLEOTIDES ENCODING ENZYMES FROM THE JUTE LIGNIN BIOSYNTHETIC PATHWAY Bangladesh Jute Research Institute (BD) 2014-03-05 EP disclosed
US-8569465-B2 Method for modifying lignin structure using monolignol ferulate conjugates WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-10-29 US disclosed
WO-2012149009-A2 POLYNUCLEOTIDES ENCODING ENZYMES FROM THE JUTE LIGNIN BIOSYNTHETIC PATHWAY BANGLADESH JUTE RESEARCH INSTITUTE (BD) 2012-11-01 WO disclosed
US-20120094330-A1 Incorporation of Flavan-3-ols and Gallic Acid Derivatives into Lignin to Improve Biomass Utilization WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-04-19 US disclosed
US-20110003978-A1 METHOD FOR MODIFYING LIGNIN STRUCTURE USING MONOLIGNOL FERULATE CONJUGATES WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-01-06 US disclosed
EP-0343714-B1 Phenylglycidate stereoisomers, conversion products thereof with e.g. 2-nitrothiophenol and preparation of diltiazem DSM NV (NL) 1994-11-02 EP disclosed
EP-0343714-A1 Phenylglycidate stereoisomers, conversion products thereof with e.g. 2-nitrothiophenol and preparation of diltiazem DSM N.V. (NL) 1989-11-29 EP disclosed