Dodecanoate

Dodecanoate

SCHEMBL8366236

CCCCCCCCCCCC(=O)O.Nc1ccccc1N

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.63
PPARG P37231 7/20 0.63
PPARD Q03181 7/20 0.63
PPARA Q07869 7/20 0.63
HDAC11 Q96DB2 5/20 0.63
TSHR P16473 4/20 0.63
PTPN1 P18031 3/20 0.63
ALDH1A1 P00352 2/20 0.63
TLR2 O60603 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
FABP4 P15090 2/20 0.63
KMT2A Q03164 2/20 0.63
ALOX15 P16050 2/20 0.63
HSD17B10 Q99714 2/20 0.63
SLC22A6 Q4U2R8 1/20 0.63
SLC22A8 Q8TCC7 1/20 0.63
MEN1 O00255 1/20 0.63
ESR1 P03372 1/20 0.63
PDE4A P27815 1/20 0.63
PDE3A Q14432 1/20 0.63

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
Decanoic Acid SCHEMBL21145022 0.89 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL21145256 0.89 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Undecanoate SCHEMBL21145269 0.89 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL21145123 0.89 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL21145286 0.89 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL21145101 0.89 GPR84 (0.63) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL28233108 0.87 SOAT1 (0.56) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL21145020 0.87 AKR1B1 (0.61) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL8366235 0.85 GPR84 (0.68) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL8855897 0.85 GPR84 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876134-A4 HAIR COLORING COMPOSITIONS PROCTER & GAMBLE (US) 1999-01-07 EP disclosed
EP-0876134-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-11-11 EP disclosed
WO-1997024107-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed