Itaconate

Itaconate

SCHEMBL8028068

C=C(CC(=O)O)C(=O)O.C=C(Cl)Cl.C=CC(=O)OCCC#N

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 5/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.35
THRB P10828 2/20 0.33

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 SCHEMBL11802224 0.89 HSD17B10 (0.45) HSD17B10ALOX15TSHRALDH1A1TP53
SCHEMBL30540307 0.82 TSHR (0.42) HSD17B10ALOX15TSHRALDH1A1TP53
Itaconate SCHEMBL7747257 0.82 HSD17B10 (0.53) HSD17B10ALOX15TSHRALDH1A1TP53
SCHEMBL33946 0.80
Methacrylic Acid SCHEMBL28829431 0.79 TSHR (0.44) HSD17B10TSHRALDH1A1TP53HIF1A
Itaconate SCHEMBL6556844 0.79 TSHR (0.63) HSD17B10ALOX15TSHRALDH1A1TP53
Acrylic Acid SCHEMBL21799261 0.78 TSHR (0.50) HSD17B10ALOX15TSHRALDH1A1TP53
Lithium SCHEMBL30027291 0.78 TSHR (0.54) HSD17B10TSHRALDH1A1TP53HIF1A
Itaconate SCHEMBL6226414 0.78 HSD17B10 (0.55) HSD17B10ALOX15TSHRALDH1A1TP53
Itaconate SCHEMBL7571545 0.78 HSD17B10 (0.55) HSD17B10ALOX15TSHRALDH1A1TP53

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