Itaconate

Itaconate

SCHEMBL6536561

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

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
TET2 Q6N021 5/20 0.35
TET3 O43151 1/20 0.33
TET1 Q8NFU7 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM2 Q14416 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30

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 SCHEMBL29353839 1.00 ALOX15 (0.58) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL29111382 1.00 ALOX15 (0.58) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL9683106 1.00 ALOX15 (0.58) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL30849894 1.00 ALOX15 (0.58) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL8053204 1.00 ALOX15 (0.58) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL1656084 0.92 ALOX15 (0.50) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL28077071 0.88 ALOX15 (0.47) ALOX15HSD17B10ALDH1A1TP53CYP3A4
Itaconate SCHEMBL27748501 0.87 ALOX15 (0.50) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL9683112 0.86 ALOX15 (0.48) ALOX15HSD17B10TET2ALDH1A1TP53
Itaconate SCHEMBL29212156 0.86 ALOX15 (0.48) ALOX15HSD17B10TET2ALDH1A1TP53

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
US-6740466-B1 HIGH SENSITIVITY TO UV, VISIBLE, ANDINFRARED; FOGGING OF THE BACKGROUND IS REDUCED; CLARITY AND HIGH CONTRAST; ADDITION POLYMERIZABLE COMPOUND, AN INDOLE-PYRIMIDINETRIONE METHINE DYE, AN ANIONIC ORGANOBORON COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 2004-05-25 US disclosed