SCHEMBL9159339

SCHEMBL9159339

ON=CC1=Cc2ccc(OCc3ccccc3)cc2CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.45
MAOB P27338 5/20 0.45
HRH3 Q9Y5N1 7/20 0.45
KDM1A O60341 2/20 0.43
ALOX5 P09917 1/20 0.41
SRD5A1 P18405 1/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CYP2D6 P10635 3/20 0.40
HRH1 P35367 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL9159335 1.00 MAOA (0.45) MAOAMAOBHRH3KDM1AALOX5
SCHEMBL9162668 0.90 MAOA (0.45) MAOAMAOBHRH3KDM1AALOX5
SCHEMBL9162672 0.90 MAOA (0.45) MAOAMAOBHRH3KDM1AALOX5
SCHEMBL9165973 0.84 MAOA (0.51) MAOAMAOBHRH3KDM1AALOX5
SCHEMBL9165847 0.83 MAOA (0.50) MAOAMAOBHRH3KDM1ARAB9A
SCHEMBL9165856 0.83 MAOA (0.50) MAOAMAOBHRH3KDM1ARAB9A
SCHEMBL9215796 0.80 MEN1 (0.43) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL9220800 0.79 CYP11B1 (0.50) MAOAMAOBNFKB1NFKB2RELA
SCHEMBL11519620 0.77 HRH3 (0.55) MAOAMAOBHRH3KDM1AALOX5
SCHEMBL225661 0.77 MAOB (0.51) MAOAMAOBHRH3KDM1AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408760-B1 NEW HYDROXYLAMINE DERIVATIVE FUJISAWA PHARMACEUTICAL CO (JP) 1995-03-15 EP disclosed
EP-0408760-A1 NEW HYDROXYLAMINE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-23 EP disclosed