Acrylic Acid

Acrylic Acid

SCHEMBL30268583

C=CC(=O)O.CCC(=Cc1ccc([N+](=O)[O-])c(OC)c1)C(=O)O

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ VCP P55072 1/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ MAPT P10636 8/20 0.40
▸ HPGD P15428 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ JUN P05412 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL30268639 0.83 MAOB (0.55) KDM4EBACE1MAPTGAAJUN
SCHEMBL3492141 0.80 EGFR (0.49) ALDH1A1KMT2AKDM4EMAPTEGFR
SCHEMBL3492143 0.80 EGFR (0.49) ALDH1A1KMT2AKDM4EMAPTEGFR
SCHEMBL10635150 0.78 TUBB4A (0.46) ALDH1A1KMT2AVCPBACE1MAPT
SCHEMBL10635147 0.78 TUBB4A (0.46) ALDH1A1KMT2AVCPBACE1MAPT
SCHEMBL8588648 0.77 GAA (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12499859 0.77 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12499863 0.77 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12499866 0.77 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1405662 0.75 MAPT (0.60) ALDH1A1KMT2AKDM4EBACE1MAPT

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
WO-2023058875-A1 NOVEL METHOD FOR SYNTHESIZING DECURSIN DERIVATIVE (주)피알지에스앤텍 2023-04-13 — — WO claimed
WO-2023058875-A1 NOVEL METHOD FOR SYNTHESIZING DECURSIN DERIVATIVE (주)피알지에스앤텍 2023-04-13 — — WO disclosed
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