Acrylamide

Acrylamide

SCHEMBL28463277

C=CC(=O)NCCCO.C=CC(N)=O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FGFR4 P22455 1/20 0.44
TGM2 P21980 4/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.36
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
PTGS1 P23219 1/20 0.33
KCNH2 Q12809 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CNR1 P21554 1/20 0.32
EPHX2 P34913 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 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
SCHEMBL1065204 0.92 ZDHHC20 (0.61) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL36683 0.92
Hydrochloric Acid SCHEMBL28790272 0.90 ZDHHC20 (0.59) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Acrylamide SCHEMBL28120831 0.88 ALDH1A1 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL155436 0.85 ZDHHC20 (0.64) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Acrylamide SCHEMBL7163814 0.85 TSHR (0.56) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL28687748 0.84 ZDHHC20 (0.53) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL24652920 0.83 ZDHHC20 (0.68) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL442128 0.83 ZDHHC20 (0.68) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL3775886 0.83 ZDHHC20 (0.68) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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-111787935-A Platymonas extract 西姆莱斯股份公司 2020-10-16 CN disclosed