SCHEMBL28550334

SCHEMBL28550334

C=CC(=O)OCC(C)(C)N.CCOS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.40
TSHR P16473 7/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 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
Acrylic Acid Ethyl Ester SCHEMBL4647153 0.87 TSHR (0.41) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL4065764 0.87 ALDH1A1 (0.49) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL2046535 0.85 ALDH1A1 (0.61) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28497298 0.83 ALDH1A1 (0.41) ALDH1A1TP53HIF1ACYP3A4MAPK1
Hydrochloric Acid SCHEMBL7804777 0.83 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
Chloromethane SCHEMBL8427834 0.83 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9403198 0.82 TSHR (0.49) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid Methyl Ester SCHEMBL4065761 0.78 ALDH1A1 (0.33) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28257852 0.78 TSHR (0.49) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL26100094 0.77 TSHR (0.33) TSHR

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
CN-108424745-B Active energy ray-polymerizable resin composition, adhesive, coating agent, laminate, and use of laminate 东洋油墨SC控股株式会社 2021-06-15 CN disclosed
CN-107531029-B Active energy ray-curable resin composition, antifogging and antifouling laminate, article and method for producing same, and antifouling method 迪睿合株式会社 2021-04-20 CN disclosed