SCHEMBL30929980

SCHEMBL30929980

O=C(O)OCC(CO)(COCC(CO)(CO)CO)COC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
HIF1A Q16665 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1355325 0.91 ALDH1A1 (0.48) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL30929992 0.91 ALDH1A1 (0.54) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL1357764 0.85 ALDH1A1 (0.48) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL15411957 0.81 CYP3A4 (0.52) MAPK1HIF1AALDH1A1TP53CYP3A4
Oxalic Acid SCHEMBL28077223 0.80 ALDH1A1 (0.38) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL28237781 0.79 HCAR2 (0.37) MAPK1HIF1AALDH1A1TP53CYP3A4
Acetic Acid SCHEMBL2578978 0.78 FFAR3 (0.37) MAPK1HIF1AALDH1A1TP53CYP3A4
Acetic Acid SCHEMBL11542884 0.78 FFAR3 (0.37) MAPK1HIF1AALDH1A1TP53CYP3A4
Acetic Acid SCHEMBL813643 0.78 FFAR3 (0.37) MAPK1HIF1AALDH1A1TP53CYP3A4
Acetic Acid SCHEMBL10338274 0.78 FFAR3 (0.37) MAPK1HIF1AALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3375812-B1 THIO EPOXY RESINS AND METHOD FOR PREPARATION PERFORMANCE CHEMICALS HANDELS GMBH (DE) 2024-04-24 EP claimed