(2E)-Hexenoic Acid

(2E)-Hexenoic Acid

SCHEMBL2384903

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)cc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ THRB P10828 2/20 0.42
▸ HCAR2 Q8TDS4 3/20 0.42
▸ HTR1A P08908 2/20 0.39
▸ PLA2G1B P04054 4/20 0.39
▸ ATG4B Q9Y4P1 4/20 0.39
▸ THRA P10827 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2384898 0.93 THRB (0.48) CNR1CNR2THRBHCAR2HTR1A
SCHEMBL2386952 0.93 THRB (0.48) CNR1CNR2THRBHCAR2HTR1A
SCHEMBL2384901 0.93 THRB (0.48) CNR1CNR2THRBHCAR2HTR1A
SCHEMBL2386951 0.93 THRB (0.48) CNR1CNR2THRBHCAR2HTR1A
(2E)-Hexenoic Acid SCHEMBL2385760 0.89 LTA4H (0.46) HCAR2HTR1ACYP1A2
SCHEMBL2385804 0.83 MET (0.52) CNR1CNR2HTR1A
SCHEMBL2386505 0.83 MET (0.52) CNR1CNR2HTR1A
SCHEMBL2385802 0.83 MET (0.52) CNR1CNR2HTR1A
SCHEMBL2386502 0.83 MET (0.52) CNR1CNR2HTR1A
SCHEMBL8214412 0.81 THRB (0.49) CNR1CNR2THRBPLA2G1BATG4B

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
Send feedback