Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL27903045

C=C(C)C(=O)OC.C=CC(=O)OC.C=Cc1ccccc1C=C

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ELANE P08246 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.33
NFE2L2 Q16236 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL11232755 0.92 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1ELANETSHR
SCHEMBL30075844 0.92 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1ELANETSHR
SCHEMBL1483930 0.92 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1ELANETSHR
Acrylic Acid Methyl Ester SCHEMBL28166951 0.88 NFE2L2 (0.40) ALDH1A1MAPTNPSR1TSHRKDM4E
Acrylic Acid Methyl Ester SCHEMBL2089667 0.88 NFE2L2 (0.40) ALDH1A1MAPTNPSR1TSHRKDM4E
Acrylic Acid Ethyl Ester SCHEMBL27704798 0.87 MAPT (0.41) ALDH1A1MAPTNPSR1KDM4EMEN1
Methacrylic Acid SCHEMBL27520585 0.87 ALDH1A1 (0.50) ALDH1A1MAPTNPSR1ELANETSHR
Styrene SCHEMBL4882975 0.86 ALDH1A1 (0.46) ALDH1A1MAPTELANETSHRKDM4E
Styrene SCHEMBL1483932 0.84 ALDH1A1 (0.47) ALDH1A1MAPTNPSR1ELANETSHR
Methacrylic Acid SCHEMBL8620013 0.84 ALDH1A1 (0.47) ALDH1A1MAPTNPSR1ELANETSHR

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-103113506-A Ester-adsorbed ternary macroporous adsorption resin QINGDAO BOYITE BIOLOG MATERIAL CO LTD 2013-05-22 CN disclosed