Acrylic Acid Ethyl Ester

Acrylic Acid Ethyl Ester

SCHEMBL28066564

C=C(C)C(=O)OC.C=C(C)C(=O)OCC.C=CC(=O)OCC.C=CC(=O)OCCCC.C=CC(=O)OCCCCCCCC.C=CC(=O)OCCCCCCCCCCCC.C=CC(=O)Oc1ccccc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
THRB P10828 4/20 0.45
HPGD P15428 2/20 0.44
FAAH O00519 6/20 0.43
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRA P10827 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.41
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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 Ethyl Ester SCHEMBL7531396 0.85 TSHR (0.58) TSHRTHRBHPGDFAAHHTT
Styrene SCHEMBL27802258 0.84 TSHR (0.49) TSHRTHRBHPGDPOLBAPEX1
Styrene SCHEMBL8586726 0.84 TSHR (0.49) TSHRTHRBHPGDPOLBAPEX1
Acrylic Acid Ethyl Ester SCHEMBL8158626 0.84 THRB (0.43) TSHRTHRBHPGDTDP1THRA
SCHEMBL7969239 0.84 TSHR (0.56) TSHRTHRBHPGDFAAHPOLB
Acrylic Acid Ethyl Ester SCHEMBL11584568 0.84 TSHR (0.65) TSHRTHRBHPGDFAAHPOLB
SCHEMBL6055681 0.84 TSHR (0.58) TSHRTHRBHPGDFAAHPOLB
SCHEMBL8634226 0.84 TSHR (0.58) TSHRTHRBHPGDFAAHPOLB
SCHEMBL10626296 0.84 TSHR (0.58) TSHRTHRBHPGDFAAHPOLB
SCHEMBL263510 0.84 TSHR (0.63) TSHRTHRBHPGDALDH1A1CYP3A4

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
CN-103703063-B The Porous-Organic granule of crosslinking 伊斯曼柯达公司 2016-06-29 CN disclosed