Acrylamide

Acrylamide

SCHEMBL28211334

C=CC(N)=O.C=Cc1ccc(B(O)O)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
FGFR4 P22455 1/20 0.42
P4HB P07237 1/20 0.41
TTR P02766 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ENPP2 Q13822 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL39239 0.85 KDM4E (0.58) KDM4EALDH1A1TSHRP4HBTTR
Acrylamide SCHEMBL9244663 0.85 ALDH1A1 (0.58) ALDH1A1TSHRFGFR4TDP1
SCHEMBL29155090 0.83 KDM4E (0.56) KDM4EALDH1A1TSHRP4HBTTR
SCHEMBL28691270 0.83 KDM4E (0.56) KDM4EALDH1A1TSHRP4HBTTR
Lithium SCHEMBL31590907 0.83 KDM4E (0.56) KDM4EALDH1A1TSHRP4HBTTR
Acetic Acid SCHEMBL28317701 0.81 KDM4E (0.50) KDM4EALDH1A1TSHRP4HBTTR
Phenylboronic Acid SCHEMBL1723445 0.80 CA4 (0.58) KDM4EALDH1A1TSHRFGFR4P4HB
SCHEMBL13621940 0.79 CA2 (0.54) KDM4EALDH1A1TSHRP4HBTTR
4-Vinylphenol SCHEMBL29096993 0.78 ALDH5A1 (0.48) KDM4EALDH1A1TSHRFGFR4TDP1
Styrene SCHEMBL28036433 0.78 ALDH1A1 (0.61) KDM4EALDH1A1TSHRP4HBTTR

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-107987286-A Multiple response type selfreparing hydrogel material and its preparation method and application 深圳大学 2018-05-04 CN claimed