Acrylamide

Acrylamide

SCHEMBL28037059

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
FGFR4 P22455 1/20 0.42
GABRR1 P24046 2/20 0.40
GABRR2 P28476 2/20 0.40
BLM P54132 2/20 0.40
LMNA P02545 2/20 0.40
GABRR3 A8MPY1 1/20 0.40
APEX1 P27695 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2724872 0.85 TSHR (0.46) TSHRGABRR1GABRR2BLMLMNA
Acrylamide SCHEMBL28953273 0.80 ALDH1A1 (0.46) TSHRALDH1A1FGFR4
SCHEMBL18691188 0.79 LMNA (0.31) BLMLMNA
SCHEMBL4353203 0.79 LMNA (0.31) BLMLMNA
Acrylamide SCHEMBL1325010 0.77 ALDH1A1 (0.52) TSHRALDH1A1FGFR4
Acrylamide SCHEMBL28358261 0.75 ALDH1A1 (0.50) TSHRALDH1A1FGFR4
Acrylamide SCHEMBL28526291 0.75 ALDH1A1 (0.50) TSHRALDH1A1FGFR4
Acrylamide SCHEMBL28814392 0.75 ALDH1A1 (0.50) TSHRALDH1A1FGFR4
Maleic Acid SCHEMBL1736261 0.73 TSHR (0.69) TSHRALDH1A1FGFR4GABRR1GABRR2
Maleic Acid SCHEMBL27712629 0.73 TSHR (0.69) TSHRALDH1A1FGFR4GABRR1GABRR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105051616-B Toner 日本瑞翁株式会社 2017-03-08 CN disclosed
CN-105051616-A Toner ZEON CORP 2015-11-11 CN disclosed