Octanoic Acid

Octanoic Acid

SCHEMBL2048076

C=Cc1ccccc1.CCCCCCCC(=O)O

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.57
PPARG P37231 7/20 0.57
PPARD Q03181 7/20 0.57
PPARA Q07869 7/20 0.57
HDAC11 Q96DB2 5/20 0.57
TSHR P16473 4/20 0.57
PTPN1 P18031 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
FABP4 P15090 3/20 0.57
ALDH1A1 P00352 2/20 0.57
TLR2 O60603 2/20 0.57
KMT2A Q03164 2/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
MEN1 O00255 1/20 0.57
ESR1 P03372 1/20 0.57
PDE4A P27815 1/20 0.57
PDE3A Q14432 1/20 0.57

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
Nonanoate SCHEMBL29876389 1.00 GPR84 (0.57) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL8990596 1.00 GPR84 (0.57) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL11407656 0.98 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL11405978 0.98 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Styrene SCHEMBL2053184 0.98 AKR1B1 (0.55) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL2024318 0.90 ALDH1A1 (0.50) GPR84PPARGPPARDPPARAHDAC11
Styrene SCHEMBL8350505 0.87 TDP1 (0.55) TSHRTDP1ALDH1A1KMT2AMEN1
Styrene SCHEMBL9354667 0.87 TDP1 (0.55) TSHRTDP1ALDH1A1KMT2AMEN1
Styrene SCHEMBL905411 0.87 TDP1 (0.55) TSHRTDP1ALDH1A1KMT2AMEN1
Styrene SCHEMBL28368789 0.87 TDP1 (0.55) TSHRTDP1ALDH1A1KMT2AMEN1

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
EP-2336341-A1 Method for producing an alkene comprising the step of converting an alcohol by an enzymatic dehydration step Marliere, Philippe (FR) 2011-06-22 EP disclosed