SCHEMBL169289

SCHEMBL169289

BC(C)C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.65
NR4A1 P22736 1/20 0.64
NR4A2 P43354 1/20 0.64
NR4A3 Q92570 1/20 0.64
PARP10 Q53GL7 1/20 0.60
SRD5A2 P31213 1/20 0.59
PLA2G4B P0C869 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
EGFR P00533 3/20 0.55
LMNA P02545 2/20 0.55
LTA4H P09960 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
NCOR2 Q9Y618 1/20 0.53

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
SCHEMBL6816962 0.88 MAOB (0.69) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL5078379 0.85 MAOB (0.65) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL103047 0.85 MAOB (0.65) MAOBNR4A1NR4A2NR4A3PARP10
Hydrochloric Acid SCHEMBL9641061 0.84 MAOB (0.63) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL13110201 0.84 MAOB (0.63) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL10844954 0.83 NR4A1 (0.70) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL6803381 0.82 MAOB (0.61) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL10845248 0.81 NR4A1 (0.68) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL3395533 0.81 NR4A1 (0.68) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL11441298 0.81 MAOB (0.60) MAOBNR4A1NR4A2NR4A3PARP10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118058-B9 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA KS (CZ) 2012-03-28 EP disclosed
EP-2426105-A1 Process for the preparation of 5-benzyloxy-2-(4-benzyloxyphenyl)-3-methyl-1h-indole Divi's Laboratories Limited (IN) 2012-03-07 EP disclosed
EP-2118058-B1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA KS (CZ) 2011-06-08 EP disclosed