SCHEMBL6794322

SCHEMBL6794322

CCOP(=O)(OCC)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.67
EPHX2 P34913 1/20 0.67
L3MBTL1 Q9Y468 3/20 0.54
LMNA P02545 2/20 0.50
MAOB P27338 2/20 0.50
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
CYP1A2 P05177 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALOX5 P09917 3/20 0.49
AR P10275 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL20710698 0.83 LTA4H (0.52) LTA4HEPHX2L3MBTL1LMNACA12
SCHEMBL20582562 0.81 LMNA (0.50) LTA4HEPHX2L3MBTL1LMNAMAOB
SCHEMBL8011004 0.80 ALOX5 (0.51) LTA4HEPHX2L3MBTL1LMNAMAOB
SCHEMBL358474 0.79 MEN1 (0.59) L3MBTL1LMNAHIF1ACA12CA1
SCHEMBL10624880 0.79 ALOX5 (0.60) LTA4HEPHX2L3MBTL1LMNAMAOB
SCHEMBL11293541 0.77 LMNA (0.67) LTA4HL3MBTL1LMNAMAOBPTGS1
SCHEMBL6829825 0.77 TDP1 (0.49) LTA4HEPHX2CA12CA1CA2
SCHEMBL6800341 0.77 PTGS1 (0.61) L3MBTL1LMNAMAOBPTGS1PTGS2
SCHEMBL6818182 0.77 PTGS1 (0.56) L3MBTL1LMNAMAOBPTGS1PTGS2
SCHEMBL22020503 0.77 PPARA (0.53) LTA4HEPHX2L3MBTL1LMNAMAOB

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
EP-1466884-A1 Process for the preparation of resveratrol and its uses Sochinaz SA (CH) 2004-10-13 EP disclosed