Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL5153322

C=C(C=Cc1ccccc1)C(=O)OCCCC.C=CC(=O)OCC

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
APP P05067 1/20 0.42
BCHE P06276 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 2/20 0.41
ACHE P22303 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL18151691 0.95 TSHR (0.51) TSHRHPGDKDM4ETDP1APP
Acrylic Acid Ethyl Ester SCHEMBL11604011 0.93 TDP1 (0.43) TSHRHPGDKDM4ETDP1CA12
SCHEMBL11598347 0.91 TSHR (0.49) TSHRHPGDKDM4ETDP1APP
SCHEMBL10906553 0.91 TSHR (0.49) TSHRHPGDKDM4ETDP1APP
Acrylic Acid Methyl Ester SCHEMBL10706577 0.91 KDM4E (0.48) TSHRHPGDKDM4ETDP1APP
Acrylic Acid SCHEMBL29184857 0.90 KDM4E (0.49) TSHRHPGDKDM4ETDP1APP
SCHEMBL29394 0.90 KDM4E (0.53) TSHRKDM4ETDP1APPBCHE
Butadiene SCHEMBL10718191 0.89 KDM4E (0.50) TSHRKDM4ETDP1APPBCHE
SCHEMBL10905565 0.89 TSHR (0.44) TSHRHPGDKDM4ETDP1APP
Acrylic Acid Methyl Ester SCHEMBL10705212 0.89 KDM4E (0.47) TSHRHPGDKDM4ETDP1APP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369434-B1 SURFACTANTS ADEKA CORP (JP) 2007-01-03 EP disclosed
US-6841655-B1 Surfactants ASAHI DENKA CO., LTD. (JP) 2005-01-11 US disclosed
EP-1369434-A1 SURFACTANTS Asahi Denka Co., Ltd. (JP) 2003-12-10 EP disclosed