SCHEMBL3950586

SCHEMBL3950586

O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)ccc12

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.86
PPARD Q03181 4/20 0.86
PPARA Q07869 4/20 0.86
KDM4E B2RXH2 10/20 0.68
NPC1 O15118 10/20 0.68
RAB9A P51151 9/20 0.68
ALDH1A1 P00352 9/20 0.68
SMN1; SMN2 Q16637 8/20 0.68
MAPT P10636 8/20 0.68
HPGD P15428 7/20 0.68
HSD17B10 Q99714 6/20 0.68
LMNA P02545 5/20 0.68
TP53 P04637 4/20 0.68
NFKB1 P19838 2/20 0.68
BLM P54132 2/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C9 P11712 2/20 0.68
MAOA P21397 2/20 0.68
MAOB P27338 2/20 0.68

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
Pseudobaptogenin SCHEMBL73016 0.92 PPARG (1.00) PPARGPPARDPPARAKDM4ENPC1
Daidzein SCHEMBL29374778 0.82 KDM4E (1.00) PPARGPPARDPPARAKDM4ENPC1
Daidzein SCHEMBL19814 0.82 KDM4E (1.00) PPARGPPARDPPARAKDM4ENPC1
Daidzein SCHEMBL21114371 0.82 KDM4E (1.00) PPARGPPARDPPARAKDM4ENPC1
SCHEMBL5267997 0.81 NPC1 (0.61) PPARGPPARDPPARAKDM4ENPC1
SCHEMBL30082665 0.81 MAPT (1.00) PPARGPPARDPPARAKDM4ENPC1
SCHEMBL12721801 0.81 MAPT (1.00) PPARGPPARDPPARAKDM4ENPC1
SCHEMBL29884186 0.80 MIF (0.84) PPARGPPARDPPARAKDM4ENPC1
SCHEMBL29482679 0.80 XDH (1.00) PPARGPPARDPPARAKDM4ENPC1
SCHEMBL73012 0.80 XDH (1.00) PPARGPPARDPPARAKDM4ENPC1

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
WO-2009026657-A1 FLAVONOID PPAR AGONISTS THE UNIVERSITY OF SYDNEY (AU) 2009-03-05 WO disclosed
WO-2009026657-A1 FLAVONOID PPAR AGONISTS THE UNIVERSITY OF SYDNEY (AU) 2009-03-05 WO disclosed