SCHEMBL28465715

SCHEMBL28465715

C=C(C)C(=O)OC.C=CC(C)=O

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.75
TSHR P16473 6/20 0.41
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HSD17B10 Q99714 1/20 0.31
TGM2 P21980 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL342507 0.90 ALDH1A1 (0.75) ALDH1A1TSHRTP53THRBTDP1
SCHEMBL25261356 0.90 ALDH1A1 (0.75) ALDH1A1TSHRTP53THRBTDP1
Acrylic Acid SCHEMBL9421225 0.88 ALDH1A1 (0.71) ALDH1A1TSHRTP53THRBTDP1
Acrylic Acid SCHEMBL1945873 0.88 ALDH1A1 (0.71) ALDH1A1TSHRTP53THRBTDP1
Acrylic Acid SCHEMBL9421234 0.88 ALDH1A1 (0.71) ALDH1A1TSHRTP53THRBTDP1
Acrylic Acid SCHEMBL7214354 0.88 ALDH1A1 (0.71) ALDH1A1TSHRTP53THRBTDP1
Acrylic Acid SCHEMBL15463386 0.88 ALDH1A1 (0.71) ALDH1A1TSHRTP53THRBTDP1
Acrylic Acid SCHEMBL215856 0.88 ALDH1A1 (0.71) ALDH1A1TSHRTP53THRBTDP1
SCHEMBL28462883 0.88 ALDH1A1 (0.58) ALDH1A1TSHR
SCHEMBL344339 0.87 ALDH1A1 (0.79) ALDH1A1TSHRTP53THRBTDP1

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-111647105-B Carboxylic acid vinyl ester copolymer and preparation method thereof 中山大学 2021-09-14 CN disclosed
CN-111647105-A Carboxylic acid vinyl ester copolymer and preparation method thereof 中山大学 2020-09-11 CN disclosed