SCHEMBL11118375

SCHEMBL11118375

c1ccc(COc2ccc(CCc3ccc[nH]3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
FFAR1 O14842 2/20 0.53
FFAR4 Q5NUL3 1/20 0.53
BCHE P06276 5/20 0.51
MAOB P27338 3/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49
RAB9A P51151 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
SCHEMBL7475165 0.83 TAAR1 (0.52) MAOBMAOA
SCHEMBL3421201 0.76 LMNA (0.85) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL10609652 0.75 LMNA (0.75) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL339813 0.75 LMNA (0.82) LTA4HEPHX2BCHEMAOBLMNA
SCHEMBL12040562 0.74 LTA4H (0.77) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL5599 0.74 LTA4H (0.66) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL12630258 0.74 LTA4H (0.77) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL11117749 0.73 HRH4 (0.49) LTA4HHRH3L3MBTL1
SCHEMBL1699213 0.73 LTA4H (0.64) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL3940420 0.73 LTA4H (0.64) LTA4HEPHX2FFAR1FFAR4BCHE

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-0115413-A1 +/- 2-(Phenethyl)-5-((3,4-methylenedioxy)-alpha-hydroxybenzyl)-pyrrolidines, pharmaceutical compositions containing them, processes for their production and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1984-08-08 EP disclosed