Sebacic Acid

Sebacic Acid

SCHEMBL9851833

O=C([O-])CCCCCCCCC(=O)[O-].O=C([O-])CCCCCCCCC(=O)[O-].O=C([O-])CCCCCCCCC(=O)[O-].O=C([O-])CCCCCCCCC(=O)[O-].O=C([O-])CCCCCCCCC(=O)[O-].O=C([O-])CCCCCCCCC(=O)[O-].O=C([O-])CCCCCCCCC(=O)[O-].O=C([O-])CCCCCCCCC(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2]

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
FABP3 P05413 9/20 0.52
FFAR3 O14843 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44

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
Octanedioate SCHEMBL8613631 1.00 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL9851840 1.00 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
Sebacic Acid SCHEMBL896236 1.00 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
Azelaic Acid SCHEMBL9318399 1.00 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1
Octanedioate SCHEMBL29373838 0.97 CA1 (0.52) CA1FABP3FFAR3HDAC3HDAC1
Pimelic Acid SCHEMBL29371665 0.97 CA1 (0.52) CA1FABP3FFAR3HDAC3HDAC1
Sebacic Acid SCHEMBL29374000 0.97 CA1 (0.52) CA1FABP3FFAR3HDAC3HDAC1
Azelaic Acid SCHEMBL29371439 0.97 CA1 (0.52) CA1FABP3FFAR3HDAC3HDAC1
Adipic Acid SCHEMBL415306 0.96 CA1 (0.58) CA1FABP3FFAR3HDAC3HDAC1
Octanedioate SCHEMBL8386996 0.93 CA1 (0.55) CA1FABP3FFAR3HDAC3HDAC1

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
EP-0444830-A1 Succinimide composition ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1991-09-04 EP disclosed