Itaconate

Itaconate

SCHEMBL5874901

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

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 1/20 0.62
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
TET2 Q6N021 5/20 0.38
TET3 O43151 1/20 0.36
TET1 Q8NFU7 1/20 0.36
PHF8 Q9UPP1 3/20 0.34
KDM2A Q9Y2K7 3/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
EGFR P00533 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
FFAR3 O14843 1/20 0.32
KDM6B O15054 1/20 0.30
KDM5C P41229 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 SCHEMBL5874904 1.00 ALOX15 (0.62) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL5447650 0.89 ALOX15 (0.68) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL21523 0.89
Itaconate SCHEMBL286967 0.89 ALOX15 (0.75) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL29886131 0.89
Itaconate SCHEMBL9617448 0.88 ALOX15 (0.56) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL5875036 0.86 ALOX15 (0.65) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL11694987 0.86 ALOX15 (0.65) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL5874823 0.86 ALOX15 (0.65) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL5875042 0.86 ALOX15 (0.65) ALOX15HSD17B10LDHASRRTET2

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