SCHEMBL29940872

SCHEMBL29940872

COc1ccc(C(O)C(CO)Oc2ccccc2OC)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.63
PPARD Q03181 1/20 0.63
PPARA Q07869 1/20 0.63
MMP9 P14780 1/20 0.60
HIF1A Q16665 3/20 0.48
EPAS1 Q99814 2/20 0.48
SOAT2 O75908 1/20 0.48
SOAT1 P35610 1/20 0.48
ACHE P22303 1/20 0.48
TNF P01375 1/20 0.46
LMNA P02545 2/20 0.45
AGTR1 P30556 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL9579548 1.00 PPARG (0.63) PPARGPPARDPPARAMMP9HIF1A
SCHEMBL22833918 1.00 PPARG (0.63) PPARGPPARDPPARAMMP9HIF1A
SCHEMBL17997741 0.92 PPARG (0.55) PPARGPPARDPPARAMMP9HIF1A
SCHEMBL17997504 0.92 PPARG (0.55) PPARGPPARDPPARAMMP9HIF1A
SCHEMBL1078636 0.92 PPARG (0.55) PPARGPPARDPPARAMMP9HIF1A
SCHEMBL23171885 0.90 MMP9 (0.66) PPARGPPARDPPARAMMP9ACHE
SCHEMBL17997745 0.90 MMP9 (0.66) PPARGPPARDPPARAMMP9ACHE
SCHEMBL29354326 0.90 MMP9 (0.66) PPARGPPARDPPARAMMP9ACHE
SCHEMBL23171886 0.90 MMP9 (0.66) PPARGPPARDPPARAMMP9ACHE
SCHEMBL13499771 0.90 MMP9 (0.66) PPARGPPARDPPARAMMP9ACHE

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-118892848-A Bimetallic nano alloy catalyst and preparation method and application thereof 浙江大学 2024-11-05 CN disclosed