Itaconate

Itaconate

SCHEMBL8659131

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

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34
TET2 Q6N021 4/20 0.33
LDHA P00338 2/20 0.33
LDHB P07195 1/20 0.33
SRR Q9GZT4 1/20 0.33
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TGFBR1 P36897 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 SCHEMBL28056694 0.98 ALOX15 (0.56) ALOX15HSD17B10TDP1GRIK1GRIK2
Itaconate SCHEMBL2945767 0.91 ALOX15 (0.62) ALOX15HSD17B10TDP1GRIK1GRIK2
Itaconate SCHEMBL5429101 0.91 ALOX15 (0.62) ALOX15HSD17B10TDP1GRIK1GRIK2
Itaconate SCHEMBL31425252 0.91 ALOX15 (0.62) ALOX15HSD17B10TDP1GRIK1GRIK2
Itaconate SCHEMBL28199241 0.87 ALOX15 (0.46) ALOX15HSD17B10TDP1
Itaconate SCHEMBL3025025 0.84 ALOX15 (0.56) ALOX15HSD17B10TDP1GRIK1GRIK2
Itaconate SCHEMBL9068843 0.84 ALOX15 (0.56) ALOX15HSD17B10TDP1GRIK1GRIK2
Itaconate SCHEMBL28511688 0.84 ALOX15 (0.65) ALOX15HSD17B10TDP1GRIK1GRIK2
Itaconate SCHEMBL28196832 0.84 ALOX15 (0.65) ALOX15HSD17B10TDP1GRIK1GRIK2
Itaconate SCHEMBL5874823 0.84 ALOX15 (0.65) ALOX15HSD17B10TDP1GRIK1GRIK2

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
EP-0685594-B1 Newsprint paper JUJO PAPER CO LTD (JP) 1998-11-11 EP disclosed
US-5698305-A Newsprint paper NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1997-12-16 US disclosed
EP-0685594-A1 Newsprint paper NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1995-12-06 EP disclosed