Octanoic Acid

Octanoic Acid

SCHEMBL5031491

CCCCCCCC(=O)O.COCCN(C)C

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.60
GPR84 Q9NQS5 7/20 0.59
PPARG P37231 7/20 0.59
PPARD Q03181 7/20 0.59
PPARA Q07869 7/20 0.59
HDAC11 Q96DB2 5/20 0.59
TSHR P16473 4/20 0.59
PTPN1 P18031 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TLR2 O60603 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
FABP4 P15090 2/20 0.59
KMT2A Q03164 2/20 0.59
ALOX15 P16050 2/20 0.59
HSD17B10 Q99714 2/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
MEN1 O00255 1/20 0.59
ESR1 P03372 1/20 0.59
PDE4A P27815 1/20 0.59

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 SCHEMBL5027745 0.90 GPR84 (0.59) DNM1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL148997 0.84 ALDH1A1 (0.55) DNM1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL3411733 0.83 GPR84 (0.71) DNM1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL3408114 0.83 GPR84 (0.71) DNM1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL20142251 0.83 GPR84 (0.71) DNM1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL1628892 0.83 GPR84 (0.71) DNM1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL3416121 0.83 GPR84 (0.71) DNM1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL3412845 0.83 GPR84 (0.71) DNM1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL20142888 0.83 GPR84 (0.71) DNM1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL3413793 0.83 GPR84 (0.71) DNM1GPR84PPARGPPARDPPARA

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-101316810-A Ionic liquids BIONIQS LTD (GB) 2008-12-03 CN disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed