SCHEMBL28427264

SCHEMBL28427264

CCOOP(=O)(CC(=O)OCCOc1ccc(C2C(=O)Oc3ccc(C)cc32)cc1)OOCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
ESR1 P03372 5/20 0.34
ESR2 Q92731 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ABCB1 P08183 1/20 0.32
ABCC1 P33527 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH2 P05091 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
SCHEMBL17009073 0.91 GAA (0.47) GAAESR1ESR2TDP1L3MBTL1
SCHEMBL28427265 0.80 GAA (0.44) GAAESR1ESR2TDP1L3MBTL1
SCHEMBL18517054 0.79 GAA (0.60) GAATDP1KMT2AALDH1A1TSHR
SCHEMBL19219097 0.79 PPARG (0.38) GAAESR1ESR2MEN1KMT2A
SCHEMBL9191296 0.78 GAA (0.64) GAAESR1ALDH1A1
SCHEMBL8098842 0.77 GAA (0.60) GAAESR1ESR2TDP1L3MBTL1
SCHEMBL9319774 0.76 GAA (0.48) GAA
SCHEMBL9319431 0.74 GAA (0.62) GAAMEN1KMT2AALDH1A1
SCHEMBL13510740 0.70 GAA (0.59) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL8705954 0.69 ESR1 (0.47) GAAESR1ESR2L3MBTL1MEN1

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-107922673-B Phosphorus-containing 3-phenyl-benzofuran-2-one derivatives as stabilizers 巴斯夫欧洲公司 2020-06-05 CN disclosed