Acrylic Acid

Acrylic Acid

SCHEMBL29034262

C=CC(=O)O.COc1cccc(OC)c1OC

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ABCB1 P08183 2/20 0.44
TNFRSF1A P19438 1/20 0.44
MEN1 O00255 2/20 0.43

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 SCHEMBL29034269 0.98 NFE2L2 (0.51) NFE2L2CA12CA1CA2CA7
SCHEMBL29034273 0.87 NFE2L2 (0.51) NFE2L2CA12CA1CA2CA7
1,2-Dimethoxybenzene SCHEMBL29004764 0.86 CA1 (0.56) NFE2L2CA12CA1CA2CA7
SCHEMBL28556152 0.85 NFE2L2 (0.50) NFE2L2CA12CA1CA2CA7
Syringol SCHEMBL29241935 0.85 KDM4E (0.55) CA12CA1CA2CA7CA9
SCHEMBL28714121 0.84 NFE2L2 (0.53) NFE2L2CA12CA1CA2CA7
Acrylic Acid SCHEMBL28021135 0.81 KDM4E (0.65) NFE2L2CA12CA1CA2CA7
SCHEMBL28767207 0.81 NFE2L2 (0.46) NFE2L2CA12CA1CA2CA7
Formaldehyde SCHEMBL28092618 0.81 SMN1; SMN2 (0.54) NFE2L2CA12CA1CA2CA7
Formic Acid SCHEMBL28191601 0.79 NFE2L2 (0.55) NFE2L2CA12CA1CA2CA7

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-114702436-B Application of piperlonguminine compound in preparation of medicines for treating schistosomiasis japonica and pharmaceutical composition 赣南师范大学 2023-07-14 CN disclosed