SCHEMBL28658809

SCHEMBL28658809

C=CC(=O)OC(C)OC(C)OCC.OCC(CO)(CO)COCC(CO)(CO)CO

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
THRB P10828 1/20 0.39
TSHR P16473 2/20 0.33

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
SCHEMBL28652150 0.90 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL36436 0.87 TSHR (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Methacrylic Acid SCHEMBL28072407 0.85 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL28343973 0.85 TSHR (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL27590135 0.85 TSHR (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL147629 0.78 TSHR (0.45) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL28977206 0.78 TSHR (0.37) ALDH1A1TP53HIF1ATHRBTSHR
SCHEMBL28498036 0.77 THRB (0.40) ALDH1A1TP53CYP3A4HIF1ATHRB
Methacrylic Acid SCHEMBL28296677 0.76 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Acrylic Acid Ethyl Ester SCHEMBL27680121 0.76 ALDH1A1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773684-A Organic silicon acrylic acid polymerization hybrid three-proofing paint and preparation method thereof 固申新材料(上海)有限公司 2021-12-10 CN claimed