Dodecanoate

Dodecanoate

SCHEMBL1805754

CCCCCCCCCCCC(=O)O.NNC(=O)c1ccccc1O.NNC(=O)c1ccccc1O

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.61
ALDH1A1 P00352 3/20 0.50
GPR84 Q9NQS5 7/20 0.49
PPARG P37231 7/20 0.49
PPARD Q03181 7/20 0.49
PPARA Q07869 7/20 0.49
HDAC11 Q96DB2 5/20 0.49
TSHR P16473 4/20 0.49
PTPN1 P18031 3/20 0.49
TLR2 O60603 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
FABP4 P15090 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
PDE3A Q14432 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
Dodecanoate SCHEMBL3096668 1.00 NAAA (0.61) NAAAALDH1A1GPR84PPARGPPARD
Sebacic Acid SCHEMBL29550667 0.93 KDM4E (0.50) NAAAALDH1A1HDAC11TSHRTDP1
SCHEMBL674925 0.93 KDM4E (0.50) NAAAALDH1A1HDAC11TSHRTDP1
SCHEMBL27548438 0.93 KDM4E (0.50) NAAAALDH1A1HDAC11TSHRTDP1
Sebacic Acid SCHEMBL28364832 0.93 KDM4E (0.50) NAAAALDH1A1HDAC11TSHRTDP1
Decane SCHEMBL5685479 0.91 NAAA (0.68) NAAAALDH1A1TSHRTDP1MEN1
Adipic Acid SCHEMBL28607978 0.91 KDM4E (0.52) NAAAALDH1A1TSHRTDP1MEN1
Octanoic Acid SCHEMBL19065025 0.85 TSHR (0.58) NAAAALDH1A1GPR84PPARGPPARD
Palmitic Acid SCHEMBL1858146 0.85 ALDH1A1 (0.58) NAAAALDH1A1GPR84PPARGPPARD
Decanoic Acid SCHEMBL31329255 0.85 ALDH1A1 (0.58) NAAAALDH1A1GPR84PPARGPPARD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362158-B2 Polyglycolic acid resin composition KUREHA CORPORATION (JP) 2013-01-29 US disclosed
US-20110306733-A1 ALIPHATIC POLYESTER MANUFACTURING METHOD KUREHA CORPORATION (JP) 2011-12-15 US disclosed
US-20110123744-A1 SEPARATION-RESISTANT GAS-BARRIER LAMINATE KUREHA CORPORATION (JP) 2011-05-26 US disclosed
EP-1958987-A1 POLYGLYCOLIC ACID RESIN COMPOSITION Kureha Corporation (JP) 2008-08-20 EP disclosed