Acrylic Acid Methyl Ester

Acrylic Acid Methyl Ester

SCHEMBL8945752

C=C(C)C(=O)OC.C=C(C)C(=O)OCc1ccccc1.C=CC(=O)OC

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HCAR2 Q8TDS4 1/20 0.43
TGM2 P21980 1/20 0.43
LMNA P02545 2/20 0.41
FKBP1A P62942 1/20 0.41
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
CA4 P22748 1/20 0.39

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 SCHEMBL27594684 0.97 ALDH1A1 (0.50) ALDH1A1HCAR2TGM2LMNAFKBP1A
Acrylic Acid Methyl Ester SCHEMBL28211143 0.96 ALDH1A1 (0.49) ALDH1A1HCAR2TGM2LMNAFKBP1A
Acrylic Acid Methyl Ester SCHEMBL28121937 0.96 ALDH1A1 (0.49) ALDH1A1HCAR2TGM2LMNAFKBP1A
SCHEMBL628109 0.92 ALDH1A1 (0.50) ALDH1A1HCAR2TGM2LMNAFKBP1A
Acrylic Acid Methyl Ester SCHEMBL28064403 0.91 ALDH1A1 (0.44) ALDH1A1HCAR2TGM2LMNAFKBP1A
SCHEMBL5333208 0.90 ALDH1A1 (0.58) ALDH1A1HCAR2LMNAFKBP1AKMT2A
Methacrylic Acid SCHEMBL10598289 0.89 ALDH1A1 (0.47) ALDH1A1HCAR2TGM2LMNAFKBP1A
Acrylic Acid Ethyl Ester SCHEMBL10600284 0.89 ALDH1A1 (0.42) ALDH1A1HCAR2TGM2LMNAFKBP1A
SCHEMBL4170802 0.89 ALDH1A1 (0.53) ALDH1A1HCAR2TGM2LMNAKMT2A
Acrylic Acid Methyl Ester SCHEMBL28086983 0.88 ALDH1A1 (0.41) ALDH1A1HCAR2TGM2LMNAKMT2A

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-5589312-A RESIN GRAINS FUJI PHOTO FILM CO., LTD. (JP) 1996-12-31 US disclosed