Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL4642932

C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.OCC(CO)(CO)CO

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
TP53 P04637 3/20 0.57
HIF1A Q16665 3/20 0.57
CYP3A4 P08684 2/20 0.57
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 9/20 0.41
HCAR2 Q8TDS4 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
THRB P10828 2/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 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 Methyl Ester SCHEMBL28066509 1.00 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid Methyl Ester SCHEMBL27449249 1.00 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
Malonic Acid SCHEMBL27502396 0.92 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
Succinic Acid SCHEMBL27504197 0.90 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
Malonic Acid SCHEMBL28082704 0.90 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid Methyl Ester SCHEMBL31437539 0.90 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid Methyl Ester SCHEMBL4817884 0.90 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
Malonic Acid SCHEMBL28082544 0.89 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
Malonic Acid SCHEMBL28082484 0.89 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
Malonic Acid SCHEMBL28083149 0.89 ALDH1A1 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1287047-B1 PHOTO-POLYMERS AND USE THEREOF TERAHERTZ PHOTONICS LTD (GB) 2008-08-13 EP disclosed
US-20030114619-A1 Photo-polymers and use thereof TERAHERTZ PHOTONICS LIMITED (GB) 2003-06-19 US disclosed
EP-1287047-A1 PHOTO-POLYMERS AND USE THEREOF TeraHertz Photonics Limited (GB) 2003-03-05 EP disclosed
WO-2001094430-A1 PHOTO-POLYMERS AND USE THEREOF TERAHERTZ PHOTONICS LIMITED (GB) 2001-12-13 WO disclosed