Octanoic Acid

Octanoic Acid

SCHEMBL28575243

CCCCCCCC(=O)O.Cc1ncsc1CCO

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
MEN1 O00255 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PDE4A P27815 1/20 0.46
PDE3A Q14432 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
Hexanoate SCHEMBL28578637 0.85 AKR1B1 (0.47) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL28142135 0.84 ALDH1A1 (0.46) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL27694072 0.79 GPR84 (0.50) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL24023361 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1ALOX15HSD17B10
Palmitic Acid SCHEMBL17812647 0.70 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL43379 0.70 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL1275148 0.70 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Sebacic Acid SCHEMBL11510695 0.70 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL11077205 0.70 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL873761 0.70 GPR84 (0.85) 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-110089504-B Seaweed extract-containing shrimp-flavor essence special for bait and preparation method thereof 广州百花香料股份有限公司 2021-06-29 CN claimed
CN-110089504-B Seaweed extract-containing shrimp-flavor essence special for bait and preparation method thereof 广州百花香料股份有限公司 2021-06-29 CN disclosed