Undecanoate

Undecanoate

SCHEMBL5028564

CCCCCCCCCCC(=O)O.CCCCN(OCCO)OCCO.CCCCN(OCCO)OCCO.CCCCN(OCCO)OCCO.O=C(O)CCCCCCCCCC(=O)O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.55
PPARG P37231 7/20 0.55
PPARD Q03181 7/20 0.55
PPARA Q07869 7/20 0.55
HDAC11 Q96DB2 5/20 0.55
TSHR P16473 4/20 0.55
PTPN1 P18031 3/20 0.55
FABP4 P15090 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TLR2 O60603 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
MEN1 O00255 1/20 0.55
ESR1 P03372 1/20 0.55
PDE4A P27815 1/20 0.55
PDE3A Q14432 1/20 0.55

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 SCHEMBL1131392 1.00 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL1131804 1.00 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL1131190 1.00 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL1131822 1.00 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Undecanoate SCHEMBL1131703 1.00 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL1131383 1.00 GPR84 (0.55) GPR84PPARGPPARDPPARAHDAC11
Sebacic Acid SCHEMBL5546513 0.98 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL1131446 0.98 AKR1B1 (0.53) GPR84PPARGPPARDPPARAHDAC11
Sebacic Acid SCHEMBL25303336 0.97 GPR84 (0.50) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL15703296 0.97 GPR84 (0.55) 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-1805131-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2007-07-11 EP claimed
WO-2005097731-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2005-10-20 WO claimed
EP-1948589-A1 IONIC LIQUIDS Bioniqs Limited (GB) 2008-07-30 EP disclosed
EP-1805131-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2007-07-11 EP disclosed
WO-2007036712-A1 IONIC LIQUIDS BIONIQS LIMITED (GB) 2007-04-05 WO disclosed
WO-2005097731-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2005-10-20 WO disclosed