Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL10836090

C=C(C=CC#N)C(=O)OCCCC.C=CC(=O)OC

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 3/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.36
ZDHHC20 Q5W0Z9 3/20 0.33
ZDHHC2 Q9UIJ5 2/20 0.33
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL2259513 0.90 ATM (0.50) TSHRHPGDATMHCAR2MAPT
Acrylic Acid Ethyl Ester SCHEMBL13685085 0.90 TSHR (0.54) TSHRHPGDATMHCAR2MAPT
Acrylic Acid SCHEMBL17387529 0.89 TSHR (0.49) TSHRHPGDATMHCAR2MAPT
Butadiene SCHEMBL9419686 0.89 TSHR (0.47) TSHRHPGDATMHCAR2MAPT
SCHEMBL11701988 0.87 TSHR (0.55) TSHRHPGDATMHCAR2MAPT
SCHEMBL9453892 0.87 TSHR (0.48) TSHRHPGDATMHCAR2MAPT
SCHEMBL3742848 0.87 TSHR (0.58) TSHRHPGDATMHCAR2MAPT
1,1-Dichloroethene SCHEMBL8510976 0.86 ATM (0.46) TSHRHPGDATMHCAR2MAPT
SCHEMBL11682342 0.85 TSHR (0.54) TSHRHPGDATMHCAR2NPSR1
Acrylonitrile SCHEMBL5834215 0.85 TSHR (0.55) TSHRHPGDATMHCAR2MAPT

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
US-4614779-A AUTOMOBILE TIRES NIPPON ZEON CO., LTD. (JP) 1986-09-30 US disclosed