SCHEMBL4734719

SCHEMBL4734719

O=C(OCc1ccccc1O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.72
SERPINE1 P05121 4/20 0.58
CYBB P04839 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
NSD2 O96028 1/20 0.51

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
SCHEMBL9750015 0.86 TYR (0.58) TYRSERPINE1L3MBTL1
SCHEMBL31668186 0.85 CYBB (0.62) TYRCYBBL3MBTL1
SCHEMBL336833 0.84 PPARG (0.63) TYRCYBBL3MBTL1
SCHEMBL4735009 0.83 TYR (0.56) TYRSERPINE1L3MBTL1
SCHEMBL9749966 0.83 TYR (0.56) TYRSERPINE1CYBBL3MBTL1
SCHEMBL10719292 0.82 TYR (0.55) TYRSERPINE1CYBBL3MBTL1NSD2
SCHEMBL4783142 0.81 TYR (0.54) TYRSERPINE1CYBBL3MBTL1
SCHEMBL1347680 0.81 L3MBTL1 (0.71) TYRSERPINE1L3MBTL1NSD2
SCHEMBL31668147 0.80 CYBB (0.57) TYRCYBB
SCHEMBL28229320 0.78 CYBB (0.56) TYRCYBBL3MBTL1

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
WO-2008065527-A2 GALLIC ACID ESTERS OF FRAGRANT ALCOHOLS GHISALBERTI CARLO (BR) 2008-06-05 WO disclosed