Octanoic Acid

Octanoic Acid

SCHEMBL28110503

C1CC1.CCCCCCCC(=O)O

nearest known ligand 0.85

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.85
PPARG P37231 7/20 0.85
PPARD Q03181 7/20 0.85
PPARA Q07869 7/20 0.85
HDAC11 Q96DB2 5/20 0.85
TSHR P16473 4/20 0.85
PTPN1 P18031 3/20 0.85
FABP4 P15090 3/20 0.85
ALDH1A1 P00352 2/20 0.85
TLR2 O60603 2/20 0.85
TDP1 Q9NUW8 2/20 0.85
KMT2A Q03164 2/20 0.85
ALOX15 P16050 2/20 0.85
HSD17B10 Q99714 2/20 0.85
SLC22A6 Q4U2R8 1/20 0.85
SLC22A8 Q8TCC7 1/20 0.85
MEN1 O00255 1/20 0.85
ESR1 P03372 1/20 0.85
PDE4A P27815 1/20 0.85
PDE3A Q14432 1/20 0.85

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
Octanoic Acid SCHEMBL28964404 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL16537764 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL28964393 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL11417493 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL392645 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL25268586 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL28454439 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL1148214 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL28203009 0.98 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL28000481 0.98 GPR84 (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107987955-A A kind of processing method of peony seed oil 余雪平 2018-05-04 CN disclosed
CN-106236667-A A kind of P. delavayi natural skin care product and preparation method thereof 王娟 2016-12-21 CN disclosed