SCHEMBL3942938

SCHEMBL3942938

COc1cc(OC)cc(C(CO)c2ccc(OC)c(OC)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
TYR P14679 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
PDE4A P27815 5/20 0.44
PDE4B Q07343 5/20 0.44
PDE4C Q08493 5/20 0.44
PDE4D Q08499 5/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL3941057 0.83 ABCB11 (0.49) PPARGPPARDPPARACA12CA1
SCHEMBL4818844 0.80 PDE4A (0.48) PPARGPPARDPPARAACHECA12
SCHEMBL4661123 0.77 PPARG (0.48) PPARGPPARDPPARAACHEBCHE
SCHEMBL10902404 0.75 PPARG (0.66) PPARGPPARDPPARAACHECA2
SCHEMBL13872003 0.75 PPARG (0.55) PPARGPPARDPPARAACHEBCHE
SCHEMBL1655319 0.74 CYP3A4 (0.74) PPARGPPARDPPARAACHEPDE4A
SCHEMBL8867400 0.74 PPARG (0.64) PPARGPPARDPPARAACHECA1
SCHEMBL22785862 0.74 CYP3A4 (0.74) PPARGPPARDPPARAACHEPDE4A
SCHEMBL22785859 0.74 CYP3A4 (0.74) PPARGPPARDPPARAACHEPDE4A
SCHEMBL8661020 0.74 AOC3 (0.54) TSHRL3MBTL1

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
EP-2049459-A1 NOVEL PROCESS FOR THE SYNTHESIS OF (E)-STILBENE DERIVATIVES WHICH MAKES IT POSSIBLE TO OBTAIN RESVERATROL AND PICEATANNOL Clariant Specialty Fine Chemicals (France) (FR) 2009-04-22 EP disclosed
WO-2008012321-A1 NOVEL PROCESS FOR THE SYNTHESIS OF (E)-STILBENE DERIVATIVES WHICH MAKES IT POSSIBLE TO OBTAIN RESVERATROL AND PICEATANNOL CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2008-01-31 WO disclosed