SCHEMBL7079440

SCHEMBL7079440

O=C(O)CC(=O)CC(=O)/C=C\C(=O)/C(C(=O)O)=C(\C(=O)O)C(=O)/C=C/C(=O)CC(=O)CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31

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
Maleylacetoacetate SCHEMBL187565 0.78 TSHR (0.45) LDHASRRKDM4ETSHR
Maleylacetoacetate SCHEMBL187863 0.78 TSHR (0.45) LDHASRRKDM4ETSHR
Maleylacetoacetate SCHEMBL380205 0.78 TSHR (0.45) LDHASRRKDM4ETSHR
SCHEMBL6916408 0.71 LDHA (0.36) LDHASRRKDM4ETSHR
Acetoacetic Acid SCHEMBL7084125 0.71 KDM4E (0.34) KDM4ETSHR
SCHEMBL6544742 0.70 TRPA1 (0.41) LDHASRR
SCHEMBL380204 0.68 LDHA (0.33) LDHASRR
SCHEMBL365997 0.68 LDHA (0.33) LDHASRR
SCHEMBL28522 0.68 LDHA (0.67) LDHASRRKDM4ETSHR
SCHEMBL2184678 0.68 LDHA (0.67) LDHASRRKDM4ETSHR

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-1326994-A2 IMPROVED METHOD FOR THE BIOSYNTHESIS OF VITAMIN E Sungene GmbH & Co. KgAA (DE) 2003-07-16 EP disclosed
WO-2002031173-A2 IMPROVED METHOD FOR THE BIOSYNTHESIS OF VITAMIN E SUNGENE GMBH & CO. KGAA (DE) 2002-04-18 WO disclosed