Octanoic Acid

Octanoic Acid

SCHEMBL7754492

CC(C)(O)CCN.CCCCCCCC(=O)O

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.61
PPARG P37231 7/20 0.61
PPARD Q03181 7/20 0.61
PPARA Q07869 7/20 0.61
HDAC11 Q96DB2 5/20 0.61
TSHR P16473 4/20 0.61
PTPN1 P18031 3/20 0.61
FABP4 P15090 3/20 0.61
ALDH1A1 P00352 2/20 0.61
TLR2 O60603 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
KMT2A Q03164 2/20 0.61
ALOX15 P16050 2/20 0.61
HSD17B10 Q99714 2/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
SLC22A8 Q8TCC7 1/20 0.61
MEN1 O00255 1/20 0.61
ESR1 P03372 1/20 0.61
PDE4A P27815 1/20 0.61
PDE3A Q14432 1/20 0.61

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
Behenic Acid SCHEMBL7752439 1.00 GPR84 (0.61) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL7752162 1.00 GPR84 (0.61) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL7754490 1.00 GPR84 (0.61) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL7753451 1.00 GPR84 (0.61) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL7753450 0.98 AKR1B1 (0.59) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL7753128 0.91 GPR84 (0.59) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL7748306 0.87 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL7748319 0.87 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL7748402 0.87 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL7752133 0.87 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0732706-B1 Method of improving the electrical conductivity of a shaped resin article and an electrostatic coating process DAI ICHI KOGYO SEIYAKU CO LTD (JP) 2001-01-17 EP disclosed
US-5599591-A USING A CARBOXYLATED AMINE DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1997-02-04 US disclosed
EP-0732706-A2 Method of improving the electrical conductivity of a shaped resin article and an electrostatic coating process DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1996-09-18 EP disclosed