SCHEMBL4734192

SCHEMBL4734192

CC(C)(OC(=O)c1cc(O)c(O)c(O)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.54
SERPINE1 P05121 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
FUT7 Q11130 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
XDH P47989 1/20 0.49
GFER P55789 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
TYR P14679 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
POLA1 P09884 1/20 0.42

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
SCHEMBL28787338 0.77 RXRA (0.46) POLBTDP1CYP2C19HIF1AALDH1A1
SCHEMBL4738069 0.77 L3MBTL1 (0.55) NSD2SERPINE1L3MBTL1POLBKDM4E
SCHEMBL39049 0.77 POLB (0.61) NSD2SERPINE1L3MBTL1POLBKDM4E
SCHEMBL29324959 0.77 NPC1 (0.49) L3MBTL1POLBLMNATDP1CYP2C19
SCHEMBL28346106 0.77 LMNA (0.55) L3MBTL1KDM4ELMNATDP1GAA
SCHEMBL28700661 0.75 ALDH1A1 (0.52) L3MBTL1LMNATDP1CYP2C19HIF1A
SCHEMBL4733375 0.75 L3MBTL1 (0.59) NSD2SERPINE1L3MBTL1POLBKDM4E
SCHEMBL25561426 0.74 ALDH1A1 (0.50) L3MBTL1LMNATDP1CYP2C19HIF1A
SCHEMBL25779634 0.74 CYP2C19 (0.43) L3MBTL1LMNATDP1CYP2C19HIF1A
SCHEMBL22072114 0.74 POLB (0.57) NSD2SERPINE1L3MBTL1POLBKDM4E

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