Acrylic Acid

Acrylic Acid

SCHEMBL9820535

C=CC(=O)O.C=CC(=O)O.CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.50
CYP2C19 P33261 4/20 0.49
CYP2C9 P11712 3/20 0.49
HIF1A Q16665 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2D6 P10635 3/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
NR5A2 O00482 1/20 0.41
NR5A1 Q13285 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 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
Acrylic Acid SCHEMBL9820498 1.00 HSPA5 (0.50) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
Acrylic Acid SCHEMBL7072679 0.86 CYP2C19 (0.46) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL30903568 0.85 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL39554 0.85 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL29500375 0.85 HSPA5 (0.66) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
Acrylic Acid SCHEMBL466170 0.85 HSPA5 (0.73) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
Acrylic Acid SCHEMBL9820642 0.85 HSPA5 (0.73) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL3685892 0.84 HSPA5 (0.63) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL2786708 0.84 CYP2C19 (0.67) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL2671109 0.83 HSPA5 (0.42) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2

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
EP-0243956-B1 ADHESIVE COMPOSITIONS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-12-11 EP claimed