Itaconate

Itaconate

SCHEMBL3579855

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

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CAMK2A Q9UQM7 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
GPR84 Q9NQS5 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.39
NFKB1 P19838 2/20 0.39
PMP22 Q01453 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
HDAC3 O15379 1/20 0.34
GABBR2 O75899 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 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
Adipic Acid SCHEMBL8897172 0.89 ALOX15 (0.54) ALOX15HSD17B10CAMK2ASLC22A6GPR84
Adipic Acid SCHEMBL6835410 0.87 ALOX15 (0.60) ALOX15HSD17B10SLC22A6GPR84FFAR1
Itaconate SCHEMBL11423524 0.85 ALOX15 (0.58) ALOX15HSD17B10CAMK2AGPR84FFAR1
Sebacic Acid SCHEMBL9068801 0.85 ALOX15 (0.58) ALOX15HSD17B10SLC22A6GPR84FFAR1
Itaconate SCHEMBL5091755 0.82 ALOX15 (0.60) ALOX15HSD17B10CAMK2AGPR84FFAR1
Itaconate SCHEMBL9328495 0.82 ALOX15 (0.60) ALOX15HSD17B10CAMK2AGPR84FFAR1
Itaconate SCHEMBL21043626 0.82 ALOX15 (0.60) ALOX15HSD17B10CAMK2AGPR84FFAR1
Itaconate SCHEMBL216384 0.82 ALOX15 (0.65) ALOX15HSD17B10CAMK2AGPR84FFAR1
Itaconate SCHEMBL304510 0.82 ALOX15 (0.65) ALOX15HSD17B10CAMK2AGPR84FFAR1
Itaconate SCHEMBL27940416 0.82 ALOX15 (0.65) ALOX15HSD17B10CAMK2AGPR84FFAR1

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
EP-2235173-A2 POLYPEPTIDES HAVING CELLULOLYTIC ENHANCING ACTIVITY AND POLYNUCLEOTIDES ENCODING SAME Novozymes A/S (DK) 2010-10-06 EP disclosed
WO-2009085935-A2 POLYPEPTIDES HAVING CELLULOLYTIC ENHANCING ACTIVITY AND POLYNUCLEOTIDES ENCODING SAME NOVOZYMES A/S (DK) 2009-07-09 WO disclosed