SCHEMBL28292244

SCHEMBL28292244

C=CC(=O)OCC(=O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
HPGD P15428 2/20 0.45
ALDH1A1 P00352 8/20 0.45
TP53 P04637 3/20 0.45
HIF1A Q16665 3/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.40
POLB P06746 1/20 0.39
THRB P10828 2/20 0.38
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL18288657 0.82 STAT3 (0.49) HPGDALDH1A1SMN1; SMN2STAT3POLB
SCHEMBL11418320 0.80 STAT3 (0.41) HPGDALDH1A1SMN1; SMN2STAT3POLB
SCHEMBL8668473 0.79 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL423013 0.77 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL2379322 0.76 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2609697 0.75 HCAR2 (0.52) ALDH1A1HSD17B10SMN1; SMN2STAT3POLB
SCHEMBL272054 0.75
SCHEMBL27820832 0.75
SCHEMBL15455067 0.75 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11410695 0.75 KDM4E (0.40) HPGDALDH1A1TP53HSD17B10SMN1; 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
CN-109575440-A A kind of anti-static polyolefin composite material and preparation method can be used for 3D printing 上海金发科技发展有限公司 2019-04-05 CN disclosed