Itaconate

Itaconate

SCHEMBL8031241

C=C(CC(=O)O)C(=O)O.C=C(CC=C(CCCl)C(=O)O)C(=O)OCC

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
GLO1 Q04760 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 SCHEMBL8029792 0.88 ALOX15 (0.40) ALOX15HSD17B10
Itaconate SCHEMBL27701921 0.77 HSD17B10 (0.50) ALOX15HSD17B10ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL262250 0.72 EGLN1 (0.50) ALOX15HSD17B10ALDH1A1CYP2D6SMN1; SMN2
Itaconate SCHEMBL10583013 0.71 THRB (0.47) ALOX15HSD17B10ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL28442932 0.70 ALOX15 (0.43) ALOX15HSD17B10ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11694414 0.70 EGLN1 (0.48) ALOX15HSD17B10ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11694750 0.70 EGLN1 (0.48) ALOX15HSD17B10ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11691945 0.70 EGLN1 (0.48) ALOX15HSD17B10ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL6386586 0.70 CYP2D6 (0.42) HSD17B10ALDH1A1CYP2D6SMN1; SMN2EGLN1
Formic Acid SCHEMBL28220883 0.69 ALDH1A1 (0.46) ALOX15HSD17B10ALDH1A1CYP2D6SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0981071-A1 Protective layer for gelatin based AGX photographic products EASTMAN KODAK COMPANY (US) 2000-02-23 EP disclosed