SCHEMBL6575796

SCHEMBL6575796

O=C1CC(c2ccc(O)c(O)c2)Oc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.73
MAPT P10636 4/20 0.72
ADORA3 P0DMS8 3/20 0.72
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
CYP3A4 P08684 2/20 0.72
MAPK1 P28482 2/20 0.72
MAOB P27338 5/20 0.68
KDM4E B2RXH2 3/20 0.68
AR P10275 3/20 0.68
HSD17B10 Q99714 2/20 0.68
POLB P06746 2/20 0.64
ALPI P09923 2/20 0.64
GAA P10253 2/20 0.64
RECQL P46063 2/20 0.64
BLM P54132 1/20 0.64
MCL1 Q07820 1/20 0.64
ATM Q13315 1/20 0.64
HSD11B1 P28845 1/20 0.63
AKR1C3 P42330 1/20 0.63

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
SCHEMBL6575800 1.00 CYP19A1 (0.73) CYP19A1MAPTADORA3NPC1RAB9A
Eriodictyol SCHEMBL3438669 0.87 CYP19A1 (0.78) CYP19A1MAPTADORA3NPC1RAB9A
SCHEMBL25411620 0.87 MAOB (0.69) CYP19A1MAPTADORA3NPC1RAB9A
Butin SCHEMBL5504140 0.84 CYP19A1 (1.00) CYP19A1MAPTADORA3NPC1RAB9A
Butin SCHEMBL29929348 0.84 CYP19A1 (1.00) CYP19A1MAPTADORA3NPC1RAB9A
Butin SCHEMBL68554 0.84 CYP19A1 (1.00) CYP19A1MAPTADORA3NPC1RAB9A
Butin SCHEMBL29929512 0.84 CYP19A1 (1.00) CYP19A1MAPTADORA3NPC1RAB9A
SCHEMBL5084433 0.84 PTPN1 (0.77) CYP19A1MAPTADORA3NPC1RAB9A
SCHEMBL27183317 0.84 CYP19A1 (0.75) CYP19A1MAPTADORA3NPC1RAB9A
SCHEMBL5084437 0.84 PTPN1 (0.77) CYP19A1MAPTADORA3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531646-B2 β-D-ribosidase activity indicators with a chromogenic substrate BURTON MICHAEL 2009-05-12 US disclosed
US-7531646-B2 β-D-ribosidase activity indicators with a chromogenic substrate BURTON MICHAEL 2009-05-12 US disclosed
EP-1436371-A2 ENZYMATIC SYSTEMS FOR GENERATING ACTIVE OXYGEN SPECIES FOR REACTING WITH OTHER PRECURSORS TO OBTAIN OXIDATION AND/OR BLEACHING Call, Krimhild (DE) 2004-07-14 EP disclosed
WO-2002099023-A2 ENZYMATIC SYSTEMS FOR GENERATING ACTIVE OXYGEN SPECIES FOR REACTING WITH OTHER PRECURSORS TO OBTAIN OXIDATION AND/OR BLEACHING CALL, KRIMHILD (DE) 2002-12-12 WO disclosed
EP-1012376-A2 OXIDATION AND BLEACHING SYSTEM WITH ENZYMATICALLY PRODUCED OXIDIZING AGENTS Blume, Hildegard (DE) 2000-06-28 EP disclosed
WO-1999001607-A2 ENZYMATIC OXIDATION SYSTEM WITH NOVEL ENZYMATIC-EFFECT ENHANCING COMPOUNDS CALL, KRIMHILD (DE) 1999-01-14 WO disclosed
WO-1998059108-A2 OXIDATION AND BLEACHING SYSTEM WITH ENZYMATICALLY PRODUCED OXIDIZING AGENTS BLUME, HILDEGARD (DE) 1998-12-30 WO disclosed