Decanoic Acid

Decanoic Acid

SCHEMBL3818965

CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Co+2].[Co+2].[Co+2]

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.72
CA1 P00915 1/20 0.71
CES2 O00748 4/20 0.67
CES1 P23141 4/20 0.67
FFAR3 O14843 1/20 0.57
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
NFKB1 P19838 1/20 0.57

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
Decanoic Acid SCHEMBL675648 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Behenic Acid SCHEMBL5833352 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Decanoic Acid SCHEMBL4639842 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Undecanoate SCHEMBL8371764 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Myristic Acid SCHEMBL2347949 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Palmitic Acid SCHEMBL138184 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Octanoic Acid SCHEMBL258296 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Stearic Acid SCHEMBL37334 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Dodecanoate SCHEMBL202045 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Heptanoate SCHEMBL152000 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3

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
EP-2087081-A1 IMPROVEMENT IN QUALITY CONTROL OF A FUNCTIONAL FLUID Evonik RohMax Additives GmbH (DE) 2009-08-12 EP disclosed
US-7553673-B2 Quality control of a functional fluid ROHMAX ADDITIVES GMBH (DE) 2009-06-30 US disclosed
WO-2008058774-A1 IMPROVEMENT IN QUALITY CONTROL OF A FUNCTIONAL FLUID EVONIK ROHMAX ADDITIVES GMBH (DE) 2008-05-22 WO disclosed
US-20080113886-A1 QUALITY CONTROL OF A FUNCTIONAL FLUID ROHMAX ADDITIVES GMBH (DE) 2008-05-15 US disclosed