Acrylic Acid

Acrylic Acid

SCHEMBL28669293

C=CC(=O)NCCC[N+](C)(C)Cc1ccccc1.C=CC(=O)NCCC[N+](C)(C)Cc1ccccc1.C=CC(=O)[O-].[Cl-]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Acrylic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 4/20 0.48
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 2/20 0.44
DNM1 Q05193 2/20 0.43
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ATM Q13315 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37

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
Hydrochloric Acid SCHEMBL4995421 0.95 TGM2 (0.52) TGM2KMT2AMEN1SMN1; SMN2TP53
SCHEMBL13903978 0.94 TGM2 (0.53) TGM2KMT2AMEN1SMN1; SMN2TP53
Water SCHEMBL9650629 0.92 TGM2 (0.52) TGM2KMT2AMEN1SMN1; SMN2TP53
Bromide SCHEMBL28624083 0.92 TGM2 (0.52) TGM2KMT2AMEN1SMN1; SMN2TP53
Sulfuric Acid SCHEMBL6472879 0.90 TGM2 (0.48) TGM2KMT2AMEN1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL28671813 0.87 TGM2 (0.48) TGM2KMT2AMEN1SMN1; SMN2TP53
SCHEMBL16319751 0.87 ZDHHC20 (0.46) TGM2KMT2AMEN1SMN1; SMN2TP53
SCHEMBL17083922 0.86 TGM2 (0.49) TGM2KMT2AMEN1SMN1; SMN2TP53
Bromide SCHEMBL14637403 0.86 ZDHHC20 (0.45) TGM2KMT2AMEN1SMN1; SMN2TP53
Trifluoromethanesulfonic Acid SCHEMBL16108731 0.85 TGM2 (0.44) TGM2KMT2AMEN1SMN1; SMN2TP53

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-113638230-A Novel sizing agent and preparation method thereof 四川聚塔科技股份有限公司 2021-11-12 CN claimed