Sanguinarium

Sanguinarium

SCHEMBL3488081

C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.c1ccc2c(c1)cnc1c3ccccc3ccc21

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAD Q92934 7/20 0.71
ALDH1A1 P00352 6/20 0.71
MAPT P10636 6/20 0.71
HPGD P15428 5/20 0.71
MAPK1 P28482 5/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
KMT2A Q03164 5/20 0.71
ACHE P22303 5/20 0.71
KDM4E B2RXH2 4/20 0.71
MEN1 O00255 4/20 0.71
LMNA P02545 3/20 0.71
TP53 P04637 3/20 0.71
CYP3A4 P08684 3/20 0.71
ALOX15 P16050 3/20 0.71
ALOX12 P18054 3/20 0.71
HSD17B10 Q99714 3/20 0.71
BCHE P06276 3/20 0.71
RGS17 Q9UGC6 2/20 0.71
RGS12 O14924 2/20 0.71
NPC1 O15118 2/20 0.71

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
Sanguinarium SCHEMBL23524622 0.84 BAD (1.00) BADALDH1A1MAPTHPGDMAPK1
Sanguinarium SCHEMBL30153784 0.84 BAD (1.00) BADALDH1A1MAPTHPGDMAPK1
Sanguinarium SCHEMBL29385229 0.84 BAD (1.00) BADALDH1A1MAPTHPGDMAPK1
Sanguinarium SCHEMBL123241 0.84 BAD (1.00) BADALDH1A1MAPTHPGDMAPK1
Sanguinarium SCHEMBL30129850 0.84 BAD (1.00) BADALDH1A1MAPTHPGDMAPK1
Sanguinarium SCHEMBL43290 0.83 RAC1 (1.00) BADALDH1A1MAPTHPGDMAPK1
Sanguinarium SCHEMBL8937106 0.83 BAD (0.97) BADALDH1A1MAPTHPGDMAPK1
Sanguinarium SCHEMBL8584009 0.83 BAD (0.97) BADALDH1A1MAPTHPGDMAPK1
Sanguinarium SCHEMBL30668087 0.83 RAC1 (1.00) BADALDH1A1MAPTHPGDMAPK1
Sanguinarium SCHEMBL19032774 0.83 ALDH1A1 (0.81) BADALDH1A1MAPTHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075385-A1 O-Methyltransferases of Tetrahydrobenzylisoquinoline Alkaloid Biosynthesis in Papaver Somniferum DONALD DANFORTH PLANT SCIENCE CENTER (US) 2010-03-25 US disclosed
US-7514251-B2 O-methyltransferases of tetrahydrobenzylisoquinoline alkaloid biosynthesis in Papaver somniferum DONALD DANFORTH PLANT SCIENCE CENTER (US) 2009-04-07 US disclosed
US-20050106588-A1 O-methyltransferases of tetrahydrobenzylisoquinoline alkaloid biosynthesis in Papaver somniferum DONALD DANFORTH PLANT SCIENCE CENTER 2005-05-19 US disclosed
WO-2005021763-A2 O-METHYLTRANSFERASES OF TETRAHYDROBENZYLISOQUINOLINE ALKALOID BIOSYNTHESIS IN PAPAVER SOMNIFERUM JOHNSON & JOHNSON RESEARCH PTY LTD (AU) 2005-03-10 WO disclosed
EP-1512748-A1 O-methyltransferases of tetrahydrobenzylisoquinoline alkaloid biosynthesis in papaver somniferum Johnson & Johnson Research Pty Limited (AU) 2005-03-09 EP disclosed