Hexyl Fumarate

Hexyl Fumarate

SCHEMBL9718985

CCCCCCOC(=O)C=CC(=O)O.CCCCNC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.58

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.58
ATM Q13315 1/20 0.41
SLC2A1 P11166 1/20 0.41
PRKCA P17252 2/20 0.39
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAAA Q02083 2/20 0.36
HTT P42858 2/20 0.35
ACHE P22303 3/20 0.35

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
SCHEMBL2678514 0.79 EPHX2 (0.47) SLC2A1NAAA
Stearyl Fumaric Acid SCHEMBL809427 0.76 HCAR2 (1.00) HCAR2ATMPRKCAMAPTRAB9A
Fumaric Acid SCHEMBL7550623 0.76 HCAR2 (1.00) HCAR2ATMPRKCAMAPTRAB9A
SCHEMBL144995 0.76 HCAR2 (1.00) HCAR2ATMPRKCAMAPTRAB9A
SCHEMBL809366 0.76 HCAR2 (1.00) HCAR2ATMPRKCAMAPTRAB9A
Hexyl Fumarate SCHEMBL1419926 0.76 HCAR2 (1.00) HCAR2ATMPRKCAMAPTRAB9A
SCHEMBL1579043 0.76 HCAR2 (1.00) HCAR2ATMPRKCAMAPTRAB9A
SCHEMBL1400161 0.76 HCAR2 (1.00) HCAR2ATMPRKCAMAPTRAB9A
SCHEMBL1250941 0.76 HCAR2 (1.00) HCAR2ATMPRKCAMAPTRAB9A
SCHEMBL1578512 0.76 HCAR2 (1.00) HCAR2ATMPRKCAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135986-A Graft polymers of styrene or A-methylstyrene and a comonomer on a core of elastomer modified by a steric hindered unsaturated 2,2,6,6-tetramethylpiperidine compoune; photostability CIBA-GEIGY CORPORATION (US) 1992-08-04 US disclosed