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(2E)-Hexenoic Acid

(2E)-Hexenoic Acid

SCHEMBL2385760

CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)O.CCCC=CC(=O)OCCc1ccc(OC(=O)C=CC=CC=CC=CC=CC=CCCCCCCCCC)c(OC(=O)C=CC=CC=CC=CC=CC=CCCCCCCCCC)c1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.46
▸ HTR1A P08908 3/20 0.46
▸ TRPV1 Q8NER1 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2E1 P05181 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ CYP2C8 P10632 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2B6 P20813 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ APP P05067 5/20 0.41
▸ MET P08581 2/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL2383975 0.93 LTA4H (0.48) LTA4HHTR1ATRPV1CYP1A2CYP2E1
SCHEMBL2383978 0.93 LTA4H (0.48) LTA4HHTR1ATRPV1CYP1A2CYP2E1
SCHEMBL2385757 0.93 LTA4H (0.48) LTA4HHTR1ATRPV1CYP1A2CYP2E1
SCHEMBL2385754 0.93 LTA4H (0.48) LTA4HHTR1ATRPV1CYP1A2CYP2E1
(2E)-Hexenoic Acid SCHEMBL2384903 0.89 CNR1 (0.44) HTR1ACYP1A2HCAR2
SCHEMBL2384841 0.81 APP (0.54) LTA4HHTR1ATRPV1CYP1A2CYP2E1
SCHEMBL2385833 0.81 APP (0.54) LTA4HHTR1ATRPV1CYP1A2CYP2E1
SCHEMBL2384843 0.81 APP (0.54) LTA4HHTR1ATRPV1CYP1A2CYP2E1
SCHEMBL2385829 0.81 APP (0.54) LTA4HHTR1ATRPV1CYP1A2CYP2E1
SCHEMBL2386951 0.81 THRB (0.48) HTR1AMETHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8465939-B2 Aging-related circulating particle-associated lipoprotein B oxidase (apoBNOX) and inhibitors thereof NOX TECHNOLOGIES, INC. (US) 2013-06-18 — — US disclosed
US-20110217401-A1 Aging-Related Circulating Particle-Associated Lipoprotein B Oxidase (apoBNOX) and Inhibitors Thereof NOX TECHNOLOGIES, INC. 2011-09-08 — — US disclosed
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