Octanoic Acid

Octanoic Acid

SCHEMBL28893184

CCCCCCCC(=O)O.CCCCCCCCCC(=O)OC(C)=O

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.65
PPARG P37231 7/20 0.65
PPARD Q03181 7/20 0.65
PPARA Q07869 7/20 0.65
HDAC11 Q96DB2 5/20 0.65
TSHR P16473 4/20 0.65
PTPN1 P18031 3/20 0.65
FABP4 P15090 3/20 0.65
ALDH1A1 P00352 2/20 0.65
TLR2 O60603 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
KMT2A Q03164 2/20 0.65
ALOX15 P16050 2/20 0.65
HSD17B10 Q99714 2/20 0.65
SLC22A6 Q4U2R8 1/20 0.65
SLC22A8 Q8TCC7 1/20 0.65
MEN1 O00255 1/20 0.65
ESR1 P03372 1/20 0.65
PDE4A P27815 1/20 0.65
PDE3A Q14432 1/20 0.65

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
Butane SCHEMBL4800380 0.94 GPR84 (0.56) GPR84PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL3309090 0.92 DGKA (0.55) GPR84PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL27635647 0.92 DGKA (0.55) GPR84PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL28851568 0.92 DGKA (0.55) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL627978 0.92 DGKA (0.59) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL4631670 0.92 DGKA (0.59) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL130890 0.92 DGKA (0.59) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL1698285 0.92 DGKA (0.59) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL11132190 0.92 TSHR (0.55) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2235744 0.92 DGKA (0.59) 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-111356504-A Dual phase sunscreen composition 莱雅公司 2020-06-30 CN disclosed
CN-111356434-A Composition comprising an oil and a polyionic complex comprising a cellulose-based cationic polymer having at least one fatty chain 莱雅公司 2020-06-30 CN disclosed