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Sugi Predict / Compounds / Dodecanoate

Dodecanoate

Dodecanoate

SCHEMBL8712409

CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.O=C([O-])CC(O)C(=O)[O-].O=C([O-])CC(O)C(=O)[O-]

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SCSF1RDRD2FLT1FLT3FLT4HTR1BHTR1DHTR1FKDRKITMETOPRD1OPRK1OPRM1PDGFRAPDGFRBRET

The experimentally established mechanism targets of Dodecanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 2/20 0.48
▸ FABP3 P05413 7/20 0.46
▸ NFKB1 P19838 1/20 0.45
▸ GPR84 Q9NQS5 1/20 0.44
▸ CA1 P00915 1/20 0.43

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
Malic Acid SCHEMBL674352 0.91 CA4 (0.55) CA4NFKB1GPR84CA1
Malic Acid SCHEMBL749592 0.91 CA4 (0.55) CA4NFKB1GPR84CA1
Malic Acid SCHEMBL511412 0.91 CA4 (0.59) CA4NFKB1GPR84CA1
Dodecanoate SCHEMBL4869587 0.85 FABP3 (0.60) FABP3NFKB1GPR84CA1
Myristic Acid SCHEMBL9245302 0.85 FABP3 (0.60) FABP3NFKB1GPR84CA1
Heptanoate SCHEMBL8361326 0.85 FABP3 (0.60) FABP3NFKB1GPR84CA1
Nonanoate SCHEMBL8365974 0.85 FABP3 (0.60) FABP3NFKB1GPR84CA1
Dodecanoate SCHEMBL35315 0.85 FABP3 (0.60) FABP3NFKB1GPR84CA1
Palmitic Acid SCHEMBL2452648 0.85 FABP3 (0.60) FABP3NFKB1GPR84CA1
Stearic Acid SCHEMBL900922 0.85 FABP3 (0.60) FABP3NFKB1GPR84CA1

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
US-5714570-A CATALYSTS CONTAINS ANTIMONY COMPOUND, TITANIUM COMPOUND AND TIN COMPOUND KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1998-02-03 — — US disclosed