Hexanoate

Hexanoate

SCHEMBL10950478

CC(C)CCC(=O)O.CCCCCC(=O)O

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.70
▸ GPR84 Q9NQS5 7/20 0.67
▸ PPARG P37231 7/20 0.67
▸ PPARD Q03181 7/20 0.67
▸ PPARA Q07869 7/20 0.67
▸ HDAC11 Q96DB2 5/20 0.67
▸ TSHR P16473 4/20 0.67
▸ PTPN1 P18031 3/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ TLR2 O60603 2/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ FABP4 P15090 2/20 0.67
▸ FFAR1 O14842 2/20 0.67
▸ FFAR4 Q5NUL3 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ ALOX15 P16050 2/20 0.67
▸ HSD17B10 Q99714 2/20 0.67
▸ SLC22A6 Q4U2R8 1/20 0.67
▸ SLC22A8 Q8TCC7 1/20 0.67
▸ MEN1 O00255 1/20 0.67

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
Decanoic Acid SCHEMBL10952051 0.98 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL10948025 0.98 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL15528275 0.93 AKR1B1 (0.58) AKR1B1GPR84PPARGPPARDPPARA
Heptane SCHEMBL6439021 0.93 GPR84 (0.62) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL4402630 0.89 FFAR3 (0.54) AKR1B1GPR84PPARGPPARDPPARA
Behenic Acid SCHEMBL8407766 0.89 FFAR4 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL3912175 0.89 FFAR4 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL3253364 0.89 FFAR4 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL7024981 0.89 FFAR4 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL10896371 0.89 FFAR4 (0.71) AKR1B1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017074236-A1 A REFRIGERATION LUBRICANT PERSTORP AB (SE) 2017-05-04 — — WO claimed
WO-2017074236-A1 A REFRIGERATION LUBRICANT PERSTORP AB (SE) 2017-05-04 — — WO disclosed
US-4526798-A Mixtures of one or more C4 -C10 -n-alkanoic acids with the ethyl ester of 2-hydroxy-4-methyl pentanoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-07-02 — — US disclosed
US-4499114-A UPGRADING ORGANOLEPTIC PROPERTIES TO SIMULATE RIPENESS; BEVERAGES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-02-12 — — US disclosed
US-4423280-A OF NON-AROMATIC COMPOUNDS IN ADMIXTURE WITH AROMATICS MOBIL OIL CORPORATION (US) 1983-12-27 — — US disclosed
US-4309281-A ADSORPTION OF PARAFFIN FROM MIXTURE WITH AROMATIC HYDROCARBON BY ZEOLITE ZSM-110 MOBIL OIL CORPORATION (US) 1982-01-05 — — US disclosed
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