SCHEMBL28405142

SCHEMBL28405142

COOc1ccc(/C=C/C(=O)O)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TNFRSF1A P19438 1/20 0.57
LY96 Q9Y6Y9 1/20 0.55
GAA P10253 1/20 0.54
MAPK1 P28482 2/20 0.53
CYP1A1 P04798 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP1B1 Q16678 2/20 0.53
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.52
CHRNA7 P36544 1/20 0.51
PTGS2 P35354 1/20 0.51
BACE1 P56817 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL79457 0.89 MAPT (0.79) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL79456 0.89 MAPT (0.79) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL29449851 0.89 MAPT (0.79) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL27892982 0.89 MAPT (0.79) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL27858760 0.88 MAPT (0.77) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL15299858 0.88 MAPT (0.77) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL28398898 0.87 MAPT (0.61) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9469775 0.84 CYP1A1 (0.62) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9469778 0.84 CYP1A1 (0.62) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL13168891 0.84 MAPT (0.61) MAPTALDH1A1MEN1KMT2ANPC1

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
CN-111087304-A Synthesis method of (E) -3- (4-hydroxy-2-methoxyphenyl) methyl acrylate 晋城天成科创股份有限公司 2020-05-01 CN claimed
CN-111087304-A Synthesis method of (E) -3- (4-hydroxy-2-methoxyphenyl) methyl acrylate 晋城天成科创股份有限公司 2020-05-01 CN disclosed