Itaconate

Itaconate

SCHEMBL28208332

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

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TET2 Q6N021 5/20 0.47
ACLY P53396 2/20 0.37
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
TET3 O43151 1/20 0.33
TET1 Q8NFU7 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM2 Q14416 1/20 0.32
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 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 SCHEMBL286967 0.84 ALOX15 (0.75) ALOX15HSD17B10TET2LDHASRR
Itaconate SCHEMBL21523 0.84
Itaconate SCHEMBL29886131 0.84
Itaconate SCHEMBL4599739 0.82 ALOX15 (0.65) ALOX15HSD17B10TET2LDHASRR
Itaconate SCHEMBL4599744 0.82 ALOX15 (0.65) ALOX15HSD17B10TET2LDHASRR
Itaconate SCHEMBL4307310 0.82 ALOX15 (0.54) ALOX15HSD17B10TET2ACLYLDHA
Itaconate SCHEMBL1888723 0.82 ALOX15 (0.71) ALOX15HSD17B10TET2LDHASRR
Itaconate SCHEMBL18554417 0.82 ALOX15 (0.71) ALOX15HSD17B10TET2LDHASRR
Itaconate SCHEMBL2397428 0.82 ALOX15 (0.71) ALOX15HSD17B10TET2LDHASRR
Itaconate SCHEMBL7518254 0.82 ALOX15 (0.71) ALOX15HSD17B10TET2LDHASRR

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
CN-104704067-B Smooth self-lubricating polymer surface 哈佛学院院长及董事 2018-04-10 CN disclosed