SCHEMBL28869327

SCHEMBL28869327

C=CC(=O)OCCOc1ccccc1.[CH2]CCOC(=O)C(=C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.70
POLB P06746 2/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 4/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL7198333 0.95 THRB (0.78) THRBPOLBAPEX1HTTTDP1
SCHEMBL10706997 0.91 THRB (0.72) THRBPOLBAPEX1HTTTDP1
SCHEMBL31404677 0.89 THRB (0.68) THRBPOLBAPEX1HTTTDP1
SCHEMBL10426103 0.89 THRB (0.68) THRBPOLBAPEX1HTTTDP1
Acrylic Acid Ethyl Ester SCHEMBL16053887 0.89 THRB (0.68) THRBPOLBAPEX1HTTTDP1
SCHEMBL4736172 0.88 THRB (0.67) THRBPOLBAPEX1HTTTDP1
Acrylic Acid Methyl Ester SCHEMBL28085444 0.87 THRB (0.65) THRBPOLBAPEX1HTTTDP1
SCHEMBL628047 0.87 THRB (0.74) THRBPOLBAPEX1HTTTDP1
SCHEMBL21837335 0.87 THRB (0.65) THRBPOLBAPEX1HTTTDP1
Methacrylic Acid SCHEMBL20875123 0.87 THRB (0.82) THRBPOLBAPEX1HTTTDP1

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-109312047-A Carbamate (methyl) acrylate and laminate film DIC株式会社 2019-02-05 CN disclosed