Itaconate

Itaconate

SCHEMBL5875283

C=C(CC(=O)O)C(=O)O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 8/20 0.49
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4C Q9H3R0 8/20 0.46
PHF8 Q9UPP1 3/20 0.46
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
ICMT O60725 1/20 0.36
ALB P02768 1/20 0.36
KDM4A O75164 2/20 0.36
AKR1B1 P15121 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35

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 SCHEMBL5875287 1.00 KDM5A (0.49) KDM5AALOX15HSD17B10KDM4CPHF8
Itaconate SCHEMBL5874369 0.88 ALOX15 (0.52) KDM5AALOX15HSD17B10KDM4CPHF8
Itaconate SCHEMBL5874376 0.88 ALOX15 (0.52) KDM5AALOX15HSD17B10KDM4CPHF8
Itaconate SCHEMBL8208615 0.84 ALOX15 (0.56) ALOX15HSD17B10AKR1B1MEN1ALDH1A1
Itaconate SCHEMBL31116826 0.84 ALOX15 (0.56) ALOX15HSD17B10AKR1B1MEN1ALDH1A1
Malonic Acid SCHEMBL5874144 0.83 KDM5A (0.58) KDM5AALOX15HSD17B10KDM4CPHF8
Malonic Acid SCHEMBL3705467 0.83 KDM5A (0.58) KDM5AALOX15HSD17B10KDM4CPHF8
SCHEMBL1004729 0.82 KDM5A (0.46) KDM5AALOX15HSD17B10KDM4CPHF8
SCHEMBL3282614 0.82 KDM5A (0.46) KDM5AALOX15HSD17B10KDM4CPHF8
SCHEMBL302899 0.82 KDM5A (0.46) KDM5AALOX15HSD17B10KDM4CPHF8

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-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed