Glutarate

Glutarate

SCHEMBL4520000

O=C([O-])CCCC(=O)[O-].O=C([O-])CCCC(=O)[O-].O=C([O-])CCCC(=O)[O-].[Sm+3].[Sm+3]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.58
▸ HDAC3 O15379 3/20 0.50
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC2 Q92769 3/20 0.50
▸ HDAC8 Q9BY41 3/20 0.50
▸ FFAR3 O14843 2/20 0.50
▸ BBOX1 O75936 3/20 0.46
▸ CA4 P22748 2/20 0.44
▸ FABP3 P05413 2/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ SLC22A6 Q4U2R8 1/20 0.41

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
Glutarate SCHEMBL1740443 0.92 CA1 (0.58) CA1HDAC3HDAC1HDAC2HDAC8
Glutarate SCHEMBL3687196 0.92 CA1 (0.58) CA1HDAC3HDAC1HDAC2HDAC8
Glutarate SCHEMBL1533372 0.92 CA1 (0.58) CA1HDAC3HDAC1HDAC2HDAC8
Glutarate SCHEMBL5134529 0.92 CA1 (0.58) CA1HDAC3HDAC1HDAC2HDAC8
Glutarate SCHEMBL104914 0.92 CA1 (0.58) CA1HDAC3HDAC1HDAC2HDAC8
Glutarate SCHEMBL3686349 0.92 CA1 (0.58) CA1HDAC3HDAC1HDAC2HDAC8
Glutarate SCHEMBL162951 0.92 CA1 (0.58) CA1HDAC3HDAC1HDAC2HDAC8
Glutarate SCHEMBL3688894 0.92 CA1 (0.58) CA1HDAC3HDAC1HDAC2HDAC8
Glutarate SCHEMBL3142978 0.92 CA1 (0.58) CA1HDAC3HDAC1HDAC2HDAC8
Glutarate SCHEMBL1035895 0.92 — —

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
US-7507480-B2 Corrosion-resistant metal surfaces BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2009-03-24 — — US disclosed
US-20060269760-A1 Corrosion-resistant metal surfaces ENERGY, UNITED STATES DEPARTMENT OF 2006-11-30 — — US disclosed
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