Octanoic Acid

Octanoic Acid

SCHEMBL3412893

CCCCCCCC(=O)O.CN1CCCC1

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
Heptanoate SCHEMBL3414511 1.00 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL3414539 0.98 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL28165247 0.98 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL7718978 0.98 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL3411704 0.98 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL3416332 0.98 AKR1B1 (0.64) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL3414518 0.96 AKR1B1 (0.61) GPR84PPARGPPARDPPARAHDAC11
Valeric Acid SCHEMBL3416765 0.92 AKR1B1 (0.54) GPR84PPARGPPARDPPARAHDAC11
Valeric Acid SCHEMBL3416722 0.90 CYP1A2 (0.57) GPR84PPARGPPARDPPARAHDAC11
Sebacic Acid SCHEMBL28321739 0.90 CYP1A2 (0.61) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265617-B1 SOLVENTS BIONIQS LTD (GB) 2014-07-02 EP claimed
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP claimed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO claimed
EP-2265617-B1 SOLVENTS BIONIQS LTD (GB) 2014-07-02 EP disclosed
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP disclosed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO disclosed