Itaconate

Itaconate

SCHEMBL8029792

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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 SCHEMBL8031241 0.88 ALOX15 (0.37) ALOX15HSD17B10
SCHEMBL7077978 0.78 TSHR (0.42) HSD17B10
Itaconate SCHEMBL10885458 0.77 ALOX15 (0.42) ALOX15HSD17B10
SCHEMBL7564628 0.77 CAMK2A (0.31)
SCHEMBL4331985 0.77 APEX1 (0.40) ALOX15
SCHEMBL2879158 0.76 ALDH1A1 (0.34)
SCHEMBL1345247 0.75 APEX1 (0.40) ALOX15HSD17B10
Itaconate SCHEMBL10984219 0.75 ALOX15 (0.56) ALOX15HSD17B10
SCHEMBL16353565 0.74 APEX1 (0.38)
SCHEMBL1403008 0.74 KDM4A (0.33)

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