SCHEMBL11433596

SCHEMBL11433596

CC(Cc1ccc(OCc2ccccc2)cc1)CN(C)C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.58
MAOA P21397 1/20 0.58
LTA4H P09960 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
ALOX5 P09917 2/20 0.51
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
BCHE P06276 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 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
SCHEMBL11441467 0.87 MAOB (0.57) MAOBMAOA
SCHEMBL16740953 0.85 MAOB (0.53) MAOBBCHE
SCHEMBL11497405 0.85 L3MBTL1 (0.57) MAOBMAOALTA4HSIGMAR1ALOX5
SCHEMBL14292431 0.83 SIGMAR1 (0.53) MAOBMAOASIGMAR1SLC6A2SLC6A3
SCHEMBL555264 0.83 SIGMAR1 (0.53) MAOBMAOASIGMAR1SLC6A2SLC6A3
SCHEMBL11433881 0.83 NPY5R (0.48) LTA4HPPARGPPARA
SCHEMBL11440388 0.81 MAOB (0.60) MAOBMAOALTA4HSIGMAR1PPARG
SCHEMBL357349 0.81 MAOB (0.57) MAOBMAOALTA4HSIGMAR1PPARG
SCHEMBL360368 0.81 MAOB (0.57) MAOBMAOALTA4HSIGMAR1PPARG
SCHEMBL2736160 0.80 LTA4H (0.61) MAOBMAOALTA4HSIGMAR1PPARG

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-0009683-A1 Basic phenyl ethers, pharmaceutical compositions containing them and the preparation of these ethers and compositions MERCK PATENT GmbH (DE) 1980-04-16 EP disclosed