Dodecanoate

Dodecanoate

SCHEMBL16892907

CCCCCCCCCCCC(=O)O.CCOC(N)=O

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

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
ALOX15 P16050 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
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
Pentadecanoic Acid SCHEMBL29137395 1.00 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL28308846 1.00 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL28986104 0.98 AKR1B1 (0.64) GPR84PPARGPPARDPPARAHDAC11
Valeric Acid SCHEMBL28333264 0.92 ALOX15 (0.62) GPR84PPARGPPARDPPARAHDAC11
Adipic Acid SCHEMBL7942122 0.92 ALOX15 (0.68) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL29078291 0.89 GPR84 (0.52) GPR84PPARGPPARDPPARAHDAC11
Decane SCHEMBL28489012 0.88 ALOX15 (0.75) GPR84PPARGPPARDPPARATSHR
Heptane SCHEMBL28335708 0.88 ALOX15 (0.75) GPR84PPARGPPARDPPARATSHR
Undecane SCHEMBL28879525 0.88 ALOX15 (0.75) GPR84PPARGPPARDPPARATSHR
Tetradecane SCHEMBL28207917 0.88 ALOX15 (0.75) GPR84PPARGPPARDPPARATSHR

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-2053064-B1 Functionalized polymers BRIDGESTONE CORP (JP) 2015-07-15 EP claimed