SCHEMBL28674846

SCHEMBL28674846

CC(O)CCC(=O)[O-].CC(O)CCC(=O)[O-].CC(O)CCC(=O)[O-].[Fe+3]

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.64
BBOX1 O75936 3/20 0.54
ALDH1A1 P00352 1/20 0.48
GPR84 Q9NQS5 1/20 0.45
FFAR3 O14843 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
CA2 P00918 3/20 0.43
NFKB1 P19838 1/20 0.42
CYP3A4 P08684 1/20 0.37

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
SCHEMBL31387898 0.95 CA1 (0.64) CA1BBOX1ALDH1A1GPR84FFAR3
Lithium Ion SCHEMBL11690140 0.95
SCHEMBL311418 0.95
SCHEMBL11688874 0.80 NFKB1 (0.59) CA1BBOX1ALDH1A1GPR84FFAR3
SCHEMBL11690045 0.77 CA1 (0.65) CA1BBOX1GPR84FFAR3HDAC3
Potassium Ion SCHEMBL7562745 0.77 NFKB1 (0.50) CA1BBOX1GPR84NFKB1
SCHEMBL20573580 0.77 NFKB1 (0.55) CA1BBOX1GPR84FFAR3HDAC3
Potassium Ion SCHEMBL20573708 0.77 NFKB1 (0.50) CA1BBOX1GPR84NFKB1
SCHEMBL31618774 0.77 NFKB1 (0.55) CA1BBOX1GPR84FFAR3HDAC3
Zinc Ion SCHEMBL8112924 0.77 NFKB1 (0.50) CA1BBOX1ALDH1A1GPR84NFKB1

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
CN-113556943-A Feed supplement 奥姆尼根研究有限责任公司 2021-10-26 CN disclosed