SCHEMBL1576890

SCHEMBL1576890

CCC(=O)CCCC(C)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NFKB1 P19838 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
FFAR1 O14842 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
GPR84 Q9NQS5 3/20 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
SCHEMBL11812294 0.91 FFAR1 (0.42) TDP1ALDH1A1MAPTFFAR1FFAR4
SCHEMBL6005397 0.91 FFAR1 (0.42) TDP1ALDH1A1MAPTFFAR1FFAR4
SCHEMBL22110977 0.89 MAPT (0.38) TDP1ALDH1A1NFKB1MAPTFFAR1
SCHEMBL1121772 0.87 ALDH1A1 (0.44) TDP1ALDH1A1NFKB1TSHRMAPT
SCHEMBL9246597 0.85
SCHEMBL17930140 0.84 TDP1 (0.39) TDP1ALDH1A1NFKB1MAPTCHRNB2
SCHEMBL128911 0.83 TDP1 (0.43) TDP1ALDH1A1NFKB1MAPTCHRNB2
SCHEMBL20524895 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10695635 0.82 MAPT (0.54) NFKB1MAPTFFAR1FFAR4KMT2A
SCHEMBL23077185 0.81 ALDH1A1 (0.45) TDP1ALDH1A1TSHRMAPTCYP3A4

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
US-11008593-B2 Process for producing 1,3-propanediol compound Photanol, B.V. 2021-05-18 US disclosed
CN-112321853-A Crystallinity-controllable starch nanoparticle, preparation method and application 广西民族大学 2021-02-05 CN disclosed
US-20190345523-A1 PROCESS OF PRODUCING AN ORGANIC COMPOUND AND AN INTERMEDIARY COMPOUND UNIVERSITEIT VAN AMSTERDAM (NL) 2019-11-14 US disclosed
US-20190177752-A1 Process for Producing an Organic Compound PHOTANOL BV. (NL) 2019-06-13 US disclosed
CN-105274041-B One plant of recombination bacillus coli and its application in production 2- butanol 山东大学 2019-04-16 CN disclosed
US-10131924-B2 Process for producing an organic compound and an intermediary compound PHOTANOL B.V. (NL) 2018-11-20 US disclosed
US-9840724-B2 Production of renewable hydrocarbon compositions BUTAMAX ADVANCED BIOFUELS LLC (US) 2017-12-12 US disclosed
US-20160083756-A1 PROCESS FOR PRODUCING AN ORGANIC COMPOUND RENOLIT HEALTHCARE B.V. (NL) 2016-03-24 US disclosed
US-9260708-B2 Yeast production host cells BUTAMAX ADVANCED BIOFUELS LLC (US) 2016-02-16 US disclosed
US-9228210-B2 Process for producing an organic compound PHOTANOL B.V. (NL) 2016-01-05 US disclosed
US-20150240267-A1 PRODUCTION OF RENEWABLE HYDROCARBON COMPOSITIONS GEVO, INC. 2015-08-27 US disclosed
WO-2014092562-A1 SYNTHESIS OF ACETOIN, 2,3-BUTANEDIOL AND 2-BUTANOL BY CYANOBACTERIA BY HETEROLOGOUS EXPRESSION OF A CATABOLIC PATHWAY PHOTANOL B.V. (NL) 2014-06-19 WO disclosed
EP-2483401-A1 IMPROVED YEAST PRODUCTION HOST CELLS Butamax(tm) Advanced Biofuels LLC (US) 2012-08-08 EP disclosed
US-20110212498-A1 LIGHT-DRIVEN CO2 REDUCTION TO ORGANIC COMPOUNDS TO SERVE AS FUELS OR AS INDUSTRIAL HALF PRODUCTS BY AN AUTOTROPH CONTAINING A FERMENTATIVE GENE CASSETTE UNIVERSITEIT VAN AMSTERDAM (NL) 2011-09-01 US disclosed
US-20110124060-A1 YEAST PRODUCTION HOST CELLS BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2011-05-26 US disclosed
WO-2011041426-A1 IMPROVED YEAST PRODUCTION HOST CELLS BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2011-04-07 WO disclosed
WO-2004080589-A2 COPPER-BASED CATALYSTS, PROCESS FOR PREPARING SAME AND USE THEREOF UNIVERSIDADE FEDERAL DE SÃO CARLOS (BR) 2004-09-23 WO disclosed
US-3981954-A Method of melamine glazing of polyester substrates AMERICAN STANDARD, INC. (US) 1976-09-21 US disclosed