SCHEMBL5045790

SCHEMBL5045790

Nc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.89
GAA P10253 2/20 0.89
RAB9A P51151 2/20 0.89
MAPT P10636 1/20 0.89
MAOA P21397 1/20 0.89
SMN1; SMN2 Q16637 1/20 0.89
L3MBTL1 Q9Y468 1/20 0.89
F2 P00734 1/20 0.61
PRSS1 P07477 1/20 0.61
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
PTGS1 P23219 1/20 0.60
SLC6A2 P23975 1/20 0.60
CYP2C19 P33261 1/20 0.60
PTGS2 P35354 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HIF1A Q16665 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MGAM O43451 1/20 0.59
SI P14410 1/20 0.59

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
4-Benzyloxyaniline SCHEMBL171449 0.94 MAOB (1.00) MAOBGAARAB9AMAPTMAOA
4-Benzyloxyaniline SCHEMBL5376217 0.92 MAOB (0.96) MAOBGAARAB9AMAPTMAOA
4-Benzyloxyaniline SCHEMBL371743 0.92 MAOB (0.96) MAOBGAARAB9AMAPTMAOA
SCHEMBL197017 0.90 LMNA (0.72) MAOBGAARAB9AMAPTMAOA
SCHEMBL6733465 0.89 MAOB (0.89) MAOBGAARAB9AMAPTMAOA
SCHEMBL23483029 0.88 LMNA (0.69) MAOBGAARAB9AMAPTMAOA
SCHEMBL1096817 0.88 LMNA (0.69) MAOBGAARAB9AMAPTMAOA
SCHEMBL323938 0.86 MAOB (0.84) MAOBGAARAB9AMAPTMAOA
4-Benzyloxyaniline SCHEMBL8216099 0.85 MAOB (0.82) MAOBGAARAB9AMAPTMAOA
4-Benzyloxyaniline SCHEMBL5571271 0.85 MAOB (0.83) MAOBGAARAB9AMAPTMAOA

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-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed