SCHEMBL28520107

SCHEMBL28520107

C=CC(=O)OCC(OCC)(OCC)C([SiH3])(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.41
TSHR P16473 7/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL663277 0.81 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL29407615 0.78 ALDH1A1 (0.42) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL8731570 0.77 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL12394810 0.74 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL29026109 0.74 THRB (0.49) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL5310828 0.74 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid Ethyl Ester SCHEMBL27888033 0.71
SCHEMBL31436722 0.71 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28975421 0.71 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL665501 0.71 TSHR (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1

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-112424269-A Resin composition for foam, and method for producing foam 株式会社钟化 2021-02-26 CN disclosed