Dodecanoate

Dodecanoate

SCHEMBL2177136

CCCCCCCCCCCC(=O)O.O=[N+]([O-])c1ccccc1O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.49
PPARA Q07869 8/20 0.49
TRPA1 O75762 1/20 0.49
FBP1 P09467 1/20 0.49
GPR84 Q9NQS5 7/20 0.49
PPARD Q03181 6/20 0.49
HDAC11 Q96DB2 5/20 0.49
TSHR P16473 4/20 0.49
ALDH1A1 P00352 2/20 0.49
TLR2 O60603 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
FABP4 P15090 2/20 0.49
PTPN1 P18031 2/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
MEN1 O00255 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX15 P16050 1/20 0.49
PDE4A P27815 1/20 0.49
KMT2A Q03164 1/20 0.49

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
Palmitic Acid SCHEMBL27937097 1.00 PPARG (0.49) PPARGPPARATRPA1FBP1GPR84
Octanoic Acid SCHEMBL8200120 1.00 PPARG (0.49) PPARGPPARATRPA1FBP1GPR84
Decanoic Acid SCHEMBL28551408 1.00 PPARG (0.49) PPARGPPARATRPA1FBP1GPR84
Nitrophenolate SCHEMBL28355685 0.99 MEN1 (0.47) PPARGPPARATRPA1FBP1GPR84
Sebacic Acid SCHEMBL15541673 0.93 MAPT (0.52) HDAC11TSHRALDH1A1TDP1MEN1
Oleic Acid SCHEMBL13731199 0.92 PPARG (0.59) PPARGPPARAPPARDTSHRALDH1A1
Dodecanoate SCHEMBL27633294 0.91 PPARG (0.55) PPARGPPARATRPA1FBP1GPR84
Nitrophenolate SCHEMBL1568956 0.88 GPR35 (0.46) FBP1TSHRALDH1A1TDP1MEN1
Nitrophenolate SCHEMBL5189172 0.83 GPR35 (0.50) TSHRALDH1A1TDP1MEN1KMT2A
Octanoic Acid SCHEMBL9716530 0.83 GPR84 (0.65) PPARGPPARAGPR84PPARDHDAC11

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-110438176-A With the gene estDR4 of esterase function and its application BIOTECHNOLOGY RES INST CAAS 2019-11-12 CN disclosed
WO-2011081513-A2 LIPASE PRODUCTION AND PURIFICATION UNIVERSITI PUTRA MALAYSIA (MY) 2011-07-07 WO disclosed