Itaconate

Itaconate

SCHEMBL5874668

C=C(CC(=O)O)C(=O)[O-].CC[N+](CC)(CC)CC

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
KCNA1 Q09470 1/20 0.35
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PMP22 Q01453 1/20 0.33
ATM Q13315 1/20 0.33
FFAR3 O14843 1/20 0.32

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 SCHEMBL107588 0.86 ALOX15 (0.41) ALOX15HSD17B10TSHRLDHASRR
Itaconate SCHEMBL6552645 0.86 ALOX15 (0.48) ALOX15HSD17B10LDHASRR
Tetrapropylammonium SCHEMBL105588 0.86 SLC22A1 (0.39) ALOX15HSD17B10TSHR
Itaconate SCHEMBL5874665 0.84 ALOX15 (0.56) ALOX15HSD17B10TSHRNFKB1KCNA1
Itaconate SCHEMBL6551910 0.84 ALOX15 (0.56) ALOX15HSD17B10TSHRNFKB1KCNA1
Itaconate SCHEMBL5874659 0.84 CA4 (0.39) TSHRNFKB1KCNA1KDM4EPMP22
Itaconate SCHEMBL6552618 0.84 ALOX15 (0.46) ALOX15HSD17B10LDHASRR
Tetrabuthylammonium SCHEMBL104112 0.83 SLC22A1 (0.43) ALOX15HSD17B10TSHR
Tetrylammonium SCHEMBL4772090 0.79 CA4 (0.43) TSHRNFKB1KCNA1LDHASRR
Tetrylammonium SCHEMBL4772087 0.78 LDHA (0.56) ALOX15HSD17B10TSHRNFKB1KCNA1

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 3 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
US-4734821-A AMMONIUM SALT OF CARBOXYLIC ACID ASAHI GLASS COMPANY LTD. (JP) 1988-03-29 US disclosed