SCHEMBL28429116

SCHEMBL28429116

O=c1c(-c2cccc(OC(O)O)c2)coc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.56
PPARG P37231 2/20 0.55
PPARD Q03181 2/20 0.55
PPARA Q07869 2/20 0.55
MAPT P10636 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 6/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPK1 P28482 3/20 0.54
POLB P06746 2/20 0.54
GAA P10253 2/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
STAT1 P42224 1/20 0.54
CASP3 P42574 1/20 0.54
HTT P42858 1/20 0.54
HIF1A Q16665 1/20 0.54

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
SCHEMBL5319165 0.85 MIF (0.57) MIFMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL28048765 0.83 ALDH1A1 (0.77) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL27974961 0.83 ALDH1A1 (0.62) MIFMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL3494129 0.83 MAPT (0.73) MIFPPARGPPARDPPARAMAPT
SCHEMBL3959661 0.78 MIF (0.69) MIFPPARGPPARDPPARAMAPT
Isoflavone SCHEMBL8028 0.75 ALDH1A1 (0.66) MIFMAPTSMN1; SMN2ALDH1A1NPC1
Isoflavone SCHEMBL6290885 0.75 ALDH1A1 (0.66) MIFMAPTSMN1; SMN2ALDH1A1NPC1
Isoflavone SCHEMBL6542422 0.75 ALDH1A1 (0.66) MIFMAPTSMN1; SMN2ALDH1A1NPC1
Isoflavone SCHEMBL31264756 0.75 ALDH1A1 (0.66) MIFMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL8602 0.75 MIF (0.61) MIFPPARGPPARDPPARAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116492331-A Application of isoflavone in preparing medicines for resisting vascular endothelial cell injury 湖南中医药大学 2023-07-28 CN claimed
CN-111249271-A Medicament for treating diabetes and preparation method and application thereof 中南民族大学 2020-06-09 CN claimed
CN-116492331-A Application of isoflavone in preparing medicines for resisting vascular endothelial cell injury 湖南中医药大学 2023-07-28 CN disclosed
CN-116492331-A Application of isoflavone in preparing medicines for resisting vascular endothelial cell injury 湖南中医药大学 2023-07-28 CN disclosed
CN-111249271-A Medicament for treating diabetes and preparation method and application thereof 中南民族大学 2020-06-09 CN disclosed