Acrylic Acid

Acrylic Acid

SCHEMBL28199721

C=CC(=O)O.O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
LMNA P02545 3/20 0.53
POLB P06746 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
ALKBH5 Q6P6C2 4/20 0.52
FTO Q9C0B1 3/20 0.52
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KCNMA1 Q12791 1/20 0.47
CES2 O00748 2/20 0.47
CYP19A1 P11511 1/20 0.46
MAPK1 P28482 1/20 0.46
CES1 P23141 1/20 0.45
MEN1 O00255 1/20 0.45
PABPC1 P11940 1/20 0.45
DUSP3 P51452 1/20 0.45

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
SCHEMBL5624718 0.92 LMNA (0.60) MAPTLMNAPOLBHTTSMN1; SMN2
Acrylic Acid SCHEMBL27645912 0.81 POLB (0.68) MAPTLMNAPOLBHTTFNTA
SCHEMBL27497022 0.80 GAA (0.60) MAPTLMNAPOLBHTTSMN1; SMN2
SCHEMBL27918601 0.79 FNTA (0.47) MAPTLMNAPOLBHTTSMN1; SMN2
SCHEMBL27129636 0.79 L3MBTL1 (0.67) MAPTLMNAHTTSMN1; SMN2ALKBH5
SCHEMBL27402036 0.79 ALDH1A1 (0.54) MAPTLMNAPOLBHTTSMN1; SMN2
SCHEMBL9384717 0.78 KCNMA1 (0.62) MAPTSMN1; SMN2ALKBH5FTOALDH1A1
SCHEMBL333161 0.78 MAPT (0.62) MAPTLMNAPOLBHTTSMN1; SMN2
SCHEMBL6815300 0.78 MAPT (0.62) MAPTLMNAPOLBHTTSMN1; SMN2
SCHEMBL27003686 0.78 L3MBTL1 (0.58) MAPTSMN1; SMN2ALKBH5FTOALDH1A1

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-107540646-A Vilazodone intermediate synthetic method 连云港恒运药业有限公司 2018-01-05 CN disclosed