Itaconate

Itaconate

SCHEMBL6913753

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

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 7/20 0.43
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 7/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
THRB P10828 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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 SCHEMBL10809656 0.98 HSD17B10 (0.58) HSD17B10ALOX15TSHRHPGDHCAR2
Itaconate SCHEMBL11140682 0.98 HSD17B10 (0.58) HSD17B10ALOX15TSHRHPGDHCAR2
Itaconate SCHEMBL28108621 0.97 HSD17B10 (0.67) HSD17B10ALOX15TSHRHPGDHCAR2
Itaconate SCHEMBL6226414 0.95 HSD17B10 (0.55) HSD17B10ALOX15TSHRHPGDHCAR2
Itaconate SCHEMBL11290331 0.89 HSD17B10 (0.49) HSD17B10ALOX15TSHRHPGDHCAR2
Itaconate SCHEMBL9135397 0.88 HSD17B10 (0.47) HSD17B10ALOX15TSHRHPGDHCAR2
Diethyl Maleate SCHEMBL29181875 0.87 HCAR2 (0.57) HSD17B10ALOX15HCAR2ALDH1A1THRB
Acrylic Acid Ethyl Ester SCHEMBL3872006 0.87 TSHR (0.50) HSD17B10ALOX15TSHRHPGDHCAR2
Itaconate SCHEMBL11802224 0.86 HSD17B10 (0.45) HSD17B10ALOX15TSHRHPGDHCAR2
Acrylic Acid Ethyl Ester SCHEMBL7106311 0.85 TSHR (0.46) HSD17B10ALOX15TSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756450-B2 Chlorine-free polyolefin-based plastisol or organosol and method for producing the same INSTITUT FUR KUNSTSTOFFTECHNOLOGIE UND - RECYCLING E. V. (DE) 2004-06-29 US claimed
EP-0048447-B1 PROCESS FOR PREPARING SILYLATED ORGANIC POLYMERS AND THEIR USE FOR TREATING TEXTILE MATERIALS SWS Silicones Corporation (US) 1985-05-02 EP disclosed
US-4401698-A SILYLATED POLYETHERAMINES SWS SILICONES CORPORATION (US) 1983-08-30 US disclosed
US-4352917-A REACTING SILYLATED AMINOPOLYETHER WITH AN ACRYLIC ACID POLYMER SWS SILICONES CORPORATION (US) 1982-10-05 US disclosed
US-4131550-A Polyester textile materials having improved durable soil release characteristics and process for producing same MILLIKEN RESEARCH CORPORATION (US) 1978-12-26 US disclosed
US-4117531-A VALVE METAL ELECTRODES, AMMONIUM OR AMINE SALT OF MALEAMIC, SUCCINAMIC, PHTHALAMIC, OR HEXAHYDROPHTHALAMIC ACID IN DIMETHYLFORMAMIDE, N-METHYLFORMAMIDE, GLYCOL, OR GLYCOL-METHYLCELLOSOLVE SPRAGUE ELECTRIC COMPANY (US) 1978-09-26 US disclosed
US-RE28914-E OIL AND WATER REPELLANT DEERING MILLIKEN RESEARCH CORPORATION (US) 1976-07-20 US disclosed