SCHEMBL8059433

SCHEMBL8059433

C=CCOCC(CO)(CO)CC(C=C(C)C(=O)O)C=C(C)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL5268893 0.80
Methacrylic Acid SCHEMBL8059435 0.74 THRB (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Acrylic Acid SCHEMBL27999355 0.72 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL109961 0.71 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL150749 0.71 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL21244 0.71 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL27869348 0.71 THRB (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Methacrylic Acid SCHEMBL29155230 0.71 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL15411957 0.69 CYP3A4 (0.52) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL7713188 0.69 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273274-B1 Degradation of polyethylene by means of agents generating free radicals ATOCHEM ELF DEUTSCHLAND (DE) 2000-07-12 EP disclosed
EP-0273274-A2 Degradation of polyethylene by means of agents generating free radicals Elf Atochem Deutschland GmbH (DE) 1988-07-06 EP disclosed
US-4460748-A Process for crosslinking and, if desired, foaming natural or synthetic homo- and/or copolymers LUPEROX GMBH (DE) 1984-07-17 US disclosed
EP-0073038-A1 Process for cross-linking and if required foaming natural or synthetic homo- and/or copolymers Luperox GmbH (DE) 1983-03-02 EP disclosed