Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL7196733

C=CC(=O)OC.C=CC(=O)OCC1=CCCCC1

nearest known ligand 0.40

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 6/20 0.39
GSTP1 P09211 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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 SCHEMBL30093668 0.99 RAB9A (0.39) RAB9ASMN1; SMN2NPC1KMT2AKDM4E
SCHEMBL301811 0.93 GSTP1 (0.40) RAB9ASMN1; SMN2NPC1KMT2AMEN1
Acrylic Acid SCHEMBL18169554 0.88 TAAR1 (0.43) RAB9ASMN1; SMN2NPC1KMT2AKDM4E
Methacrylic Acid SCHEMBL6379774 0.85 GSTP1 (0.36) RAB9ASMN1; SMN2NPC1KMT2AKDM4E
SCHEMBL6379769 0.83 THRB (0.37) RAB9ASMN1; SMN2NPC1KMT2AKDM4E
SCHEMBL301941 0.82 NPC1 (0.34) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL4594759 0.82 ALDH1A1 (0.37) RAB9ASMN1; SMN2NPC1KMT2AKDM4E
SCHEMBL38666286 0.81 TAAR1 (0.36) RAB9ASMN1; SMN2NPC1KMT2AKDM4E
SCHEMBL23500188 0.78 GSTP1 (0.62) RAB9ASMN1; SMN2NPC1KMT2AKDM4E
SCHEMBL85977 0.78 TSHR (0.46) RAB9ASMN1; SMN2NPC1KMT2AKDM4E

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
US-6559205-B2 Oxygen scavenging polymer blend consisits of a branched polymer with ethylenic backbone and a pendant or terminal cyclic olefinic group, and an other homo or copolymer (addition or condensation polymer) CHEVRON PHILLIPS CHEMICAL COMPANY LP 2003-05-06 US disclosed
US-20020095003-A1 Oxygen scavenging polymer blends and emulsion-based methods for preparing same CRYOVAC, INC. 2002-07-18 US disclosed