Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL4640900

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.54
TSHR P16473 5/20 0.53
HPGD P15428 1/20 0.53
ATM Q13315 1/20 0.44
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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 SCHEMBL10629796 0.90 HCAR2 (0.57) HCAR2TSHRHPGDATMMAPT
Acrylic Acid Ethyl Ester SCHEMBL2032729 0.89 TSHR (0.57) HCAR2TSHRHPGDATMMAPT
SCHEMBL887886 0.89 TSHR (0.61) HCAR2TSHRHPGDATMMAPT
SCHEMBL1078981 0.88 HCAR2 (0.62) HCAR2TSHRHPGDATMMAPT
Butadiene SCHEMBL11319000 0.87 HCAR2 (0.57) HCAR2TSHRHPGDATMMAPT
SCHEMBL5859055 0.86 TSHR (0.58) HCAR2TSHRHPGDATMMAPT
SCHEMBL2778233 0.86 TSHR (0.58) HCAR2TSHRHPGDATMMAPT
SCHEMBL3361083 0.86 TSHR (0.61) HCAR2TSHRHPGDATMMAPT
Acrylic Acid Methyl Ester SCHEMBL11906396 0.86 TSHR (0.47) HCAR2TSHRHPGDMAPTALDH1A1
Acrylic Acid Methyl Ester SCHEMBL8380741 0.85 HCAR2 (0.49) HCAR2TSHRHPGDMAPTNPSR1

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
EP-1142934-B1 Method for producing substantially dry water-insoluble polymers for improved flocculation in the Bayer process NALCO CHEMICAL CO (US) 2008-08-06 EP disclosed