Behenic Acid

Behenic Acid

SCHEMBL4347695

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ir+4]

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
Octanoic Acid SCHEMBL9128994 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Stearic Acid SCHEMBL3769087 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Palmitic Acid SCHEMBL9127702 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Dodecanoate SCHEMBL9128358 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Myristic Acid SCHEMBL3761890 1.00 FABP3 (0.72) FABP3CA1CES2CES1FFAR3
Palmitic Acid SCHEMBL1628227 0.97 FABP3 (0.75) FABP3CA1CES2CES1FFAR3
Myristic Acid SCHEMBL3765071 0.97 FABP3 (0.75) FABP3CA1CES2CES1FFAR3
Octanoic Acid SCHEMBL1316022 0.97 FABP3 (0.75) FABP3CA1CES2CES1FFAR3
Stearic Acid SCHEMBL1360333 0.97 FABP3 (0.75) FABP3CA1CES2CES1FFAR3
Stearic Acid SCHEMBL29620682 0.97 FABP3 (0.75) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043611-A2 METAL-CONTAINING FORMULATIONS AND METHODS OF USE Nucryst Pharmaceuticals Corp. (CA) 2009-04-08 EP disclosed
US-20080050452-A1 METAL-CONTAINING FORMULATIONS AND METHODS OF USE NUCRYST PHARMACEUTICALS 2008-02-28 US disclosed
US-20080044491-A1 METAL-CONTAINING FORMULATIONS AND METHODS OF USE NUCRYST PHARMACEUTICALS 2008-02-21 US disclosed
US-20080014247-A1 METAL-CONTAINING FORMULATIONS AND METHODS OF USE NUCRYST PHARMACEUTICALS 2008-01-17 US disclosed
US-20080014278-A1 METAL-CONTAINING FORMULATIONS AND METHODS OF USE NUCRYST PHARMACEUTICALS 2008-01-17 US disclosed
WO-2008005705-A2 METAL-CONTAINING FORMULATIONS AND METHODS OF USE NUCRYST PHARMACEUTICALS CORP. (CA) 2008-01-10 WO disclosed