Itaconate

Itaconate

SCHEMBL5874823

C=C(CC(=O)O)C(=O)O.CN.CN

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.65
HSD17B10 Q99714 1/20 0.65
LDHA P00338 1/20 0.42
SRR Q9GZT4 1/20 0.42
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRM1 Q13255 1/20 0.41
GRM2 Q14416 1/20 0.41
TET2 Q6N021 5/20 0.39
TET3 O43151 1/20 0.37
TET1 Q8NFU7 1/20 0.37
FFAR3 O14843 1/20 0.33
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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 SCHEMBL5874830 1.00 ALOX15 (0.65) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL5447650 0.92 ALOX15 (0.68) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL27584099 0.92 ALOX15 (0.68) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL29886131 0.91
Itaconate SCHEMBL286967 0.91 ALOX15 (0.75) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL21523 0.91
Itaconate SCHEMBL5875253 0.90 ALOX15 (0.60) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL5875248 0.90 ALOX15 (0.60) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL5875036 0.89 ALOX15 (0.65) ALOX15HSD17B10LDHASRRGRIK1
Itaconate SCHEMBL5875042 0.89 ALOX15 (0.65) ALOX15HSD17B10LDHASRRGRIK1

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