Itaconate

Itaconate

SCHEMBL5874230

C=C(CC(=O)O)C(=O)O.CC(O)N(C(C)O)C(C)O

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TET2 Q6N021 5/20 0.40
TET3 O43151 1/20 0.40
TET1 Q8NFU7 1/20 0.40
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
TP53 P04637 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 SCHEMBL28350321 0.89 ALOX15 (0.60) ALOX15HSD17B10TET2TET3TET1
Itaconate SCHEMBL5875304 0.84 ALOX15 (0.56) ALOX15HSD17B10TET2TET3TET1
Itaconate SCHEMBL28065371 0.84 ALOX15 (0.56) ALOX15HSD17B10TET2TET3TET1
Itaconate SCHEMBL5072252 0.83 ALOX15 (0.54) ALOX15HSD17B10TET2TET3TET1
Itaconate SCHEMBL29527662 0.83 ALOX15 (0.54) ALOX15HSD17B10TET2TET3TET1
Itaconate SCHEMBL5394440 0.83 ALOX15 (0.54) ALOX15HSD17B10TET2TET3TET1
Itaconate SCHEMBL5874899 0.83 ALOX15 (0.54) ALOX15HSD17B10TET2TET3TET1
Itaconate SCHEMBL5874901 0.81 ALOX15 (0.62) ALOX15HSD17B10TET2TET3TET1
Itaconate SCHEMBL5874904 0.81 ALOX15 (0.62) ALOX15HSD17B10TET2TET3TET1
Itaconate SCHEMBL5447650 0.81 ALOX15 (0.68) ALOX15HSD17B10TET2TET3TET1

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