Itaconate

Itaconate

SCHEMBL11113333

C=C(CC(=O)O)C(=O)O.C=CC(=O)O.CCC(CO)(CO)CO

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.32
TET2 Q6N021 1/20 0.31

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
Itaconate SCHEMBL27748501 0.91 ALOX15 (0.50) ALOX15HSD17B10TET2
Malonic Acid SCHEMBL11102265 0.88 ALOX15 (0.45) ALOX15HSD17B10ALDH1A1TP53CYP3A4
Itaconate SCHEMBL1653815 0.86 ALOX15 (0.46) ALOX15HSD17B10TET2
Acrylic Acid SCHEMBL134219 0.84 LMNA (0.48) ALOX15HSD17B10ALDH1A1TP53CYP3A4
Acrylic Acid SCHEMBL2470338 0.84 LMNA (0.48) ALOX15HSD17B10ALDH1A1TP53CYP3A4
Acrylic Acid SCHEMBL2688353 0.84 LMNA (0.48) ALOX15HSD17B10ALDH1A1TP53CYP3A4
Acrylic Acid SCHEMBL898587 0.84 LMNA (0.48) ALOX15HSD17B10ALDH1A1TP53CYP3A4
Acrylic Acid SCHEMBL5694042 0.84 LMNA (0.48) ALOX15HSD17B10ALDH1A1TP53CYP3A4
Acrylic Acid SCHEMBL5933800 0.84 LMNA (0.48) ALOX15HSD17B10ALDH1A1TP53CYP3A4
Acrylic Acid SCHEMBL899017 0.84 LMNA (0.48) ALOX15HSD17B10ALDH1A1TP53CYP3A4

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-0102830-A2 Delustering coating composition excellent in abrasion resistance MITSUBISHI RAYON CO., LTD. (JP) 1984-03-14 EP disclosed