Itaconate

Itaconate

SCHEMBL9135397

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

nearest known ligand 0.47

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.36
TSHR P16473 7/20 0.35
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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 SCHEMBL9136633 0.90 HSD17B10 (0.49) HSD17B10ALOX15ALDH1A1TP53HIF1A
Itaconate SCHEMBL6913753 0.88 HSD17B10 (0.60) HSD17B10ALOX15ALDH1A1TP53HIF1A
Itaconate SCHEMBL10809656 0.87 HSD17B10 (0.58) HSD17B10ALOX15ALDH1A1TP53HIF1A
Itaconate SCHEMBL11140682 0.87 HSD17B10 (0.58) HSD17B10ALOX15ALDH1A1TP53HIF1A
Itaconate SCHEMBL28108621 0.85 HSD17B10 (0.67) HSD17B10ALOX15ALDH1A1TP53HIF1A
Itaconate SCHEMBL6226414 0.84 HSD17B10 (0.55) HSD17B10ALOX15ALDH1A1TP53HIF1A
SCHEMBL29602206 0.79 ALDH1A1 (0.44) HSD17B10ALOX15ALDH1A1TP53HIF1A
Itaconate SCHEMBL11290331 0.79 HSD17B10 (0.49) HSD17B10ALOX15ALDH1A1TP53HIF1A
Methacrylic Acid SCHEMBL9136233 0.79 ALDH1A1 (0.47) HSD17B10ALDH1A1TP53HIF1AMAPK1
Methacrylic Acid SCHEMBL28476192 0.79 ALDH1A1 (0.47) HSD17B10ALDH1A1TP53HIF1AMAPK1

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-5410005-A Comprising acrylic amide and ester copolymers and their salts, having carboxyl and sulfonic acid groups as well as fluoro JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1995-04-25 US disclosed
EP-0583918-A2 Reflection preventing film and process for forming resist pattern using the same JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-02-23 EP disclosed