Itaconate

Itaconate

SCHEMBL7513296

C=C(CC(=O)O)C(=O)O.[CsH]

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.71
HSD17B10 Q99714 1/20 0.71
LDHA P00338 1/20 0.47
SRR Q9GZT4 1/20 0.47
TET2 Q6N021 5/20 0.40
TET3 O43151 1/20 0.40
TET1 Q8NFU7 1/20 0.40
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRM1 Q13255 1/20 0.39
GRM2 Q14416 1/20 0.39
TSHR P16473 3/20 0.36
KDM4E B2RXH2 1/20 0.36
EGLN1 Q9GZT9 2/20 0.32
LMNA P02545 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
OR51E2 Q9H255 2/20 0.30
MAPK1 P28482 1/20 0.30
SLC13A3 Q8WWT9 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 SCHEMBL29886131 0.97
Itaconate SCHEMBL21523 0.97
Itaconate SCHEMBL286967 0.97 ALOX15 (0.75) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL18554417 0.94 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL2397428 0.94 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL1888723 0.94 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL5860695 0.94 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL9244093 0.94 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL7518254 0.94 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL6552810 0.94 ALOX15 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6472079-B2 PRODUCT OF HYDROLYSIS AND CONDENSATION OF AN ORGANOSILICON COMPOUND; 1A OR 2A COMPOUND, ESPECIALLY CARBOXYLIC SALT; SOLVENT; EXCELLENT CRACKING RESISTANCE AFTER A PCT (PRESSURE COOKER TEST). JSR CORPORATION (JP) 2002-10-29 US disclosed
US-20020045693-A1 Composition for film formation, method of film formation and silica-based film JSR CORPORATION (JP) 2002-04-18 US disclosed
EP-1148105-A2 Composition for film formation, method of film formation, and silica-based film JSR Corporation (JP) 2001-10-24 EP disclosed