Itaconate

Itaconate

SCHEMBL5875253

C=C(CC(=O)O)C(=O)O.CCN

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.60
HSD17B10 Q99714 1/20 0.60
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRM1 Q13255 1/20 0.38
GRM2 Q14416 1/20 0.38
TET2 Q6N021 5/20 0.37
FFAR3 O14843 2/20 0.36
GLRA1 P23415 1/20 0.36
SLC6A9 P48067 1/20 0.36
OR51E2 Q9H255 1/20 0.36
TET3 O43151 1/20 0.34
TET1 Q8NFU7 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
KDM4E B2RXH2 2/20 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 SCHEMBL5875248 1.00 ALOX15 (0.60) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL5874830 0.90 ALOX15 (0.65) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL5874823 0.90 ALOX15 (0.65) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL10809654 0.89 ALOX15 (0.80) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL904587 0.87 ALOX15 (0.62) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL28033459 0.87 ALOX15 (0.62) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL876139 0.87 ALOX15 (0.62) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL5447650 0.87 ALOX15 (0.68) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL27584099 0.87 ALOX15 (0.68) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL29886131 0.87

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-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed