Octanoic Acid

Octanoic Acid

SCHEMBL27876702

C/C=C/C=C/CO.CCCCCCCC(=O)O

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.64
PPARG P37231 8/20 0.59
PPARD Q03181 8/20 0.59
PPARA Q07869 8/20 0.59
GPR84 Q9NQS5 7/20 0.59
HDAC11 Q96DB2 5/20 0.59
TSHR P16473 4/20 0.59
PTPN1 P18031 4/20 0.59
FABP4 P15090 4/20 0.59
HSD17B10 Q99714 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TLR2 O60603 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALOX15 P16050 2/20 0.59
KMT2A Q03164 2/20 0.59
FABP5 Q01469 2/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
MEN1 O00255 1/20 0.59
ESR1 P03372 1/20 0.59

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
Stearic Acid SCHEMBL715877 1.00 FASN (0.64) FASNPPARGPPARDPPARAGPR84
Palmitic Acid SCHEMBL27532698 1.00 FASN (0.64) FASNPPARGPPARDPPARAGPR84
Stearic Acid SCHEMBL27386843 1.00 FASN (0.64) FASNPPARGPPARDPPARAGPR84
Dodecanoate SCHEMBL714246 1.00 FASN (0.64) FASNPPARGPPARDPPARAGPR84
Dodecanoate SCHEMBL27663075 1.00 FASN (0.64) FASNPPARGPPARDPPARAGPR84
Stearic Acid SCHEMBL1071278 1.00 FASN (0.64) FASNPPARGPPARDPPARAGPR84
Palmitic Acid SCHEMBL3250351 1.00 FASN (0.64) FASNPPARGPPARDPPARAGPR84
Palmitic Acid SCHEMBL3794496 0.98 FASN (0.62) FASNPPARGPPARDPPARAGPR84
Palmitic Acid SCHEMBL330778 0.98 FASN (0.62) FASNPPARGPPARDPPARAGPR84
Dodecanoate SCHEMBL7947911 0.97 FASN (0.60) FASNPPARGPPARDPPARAGPR84

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
CN-102549104-A Methods for thickening hydrophobic liquids with amphiphilic esters UNIV CITY NEW YORK RES FOUND 2012-07-04 CN disclosed