SCHEMBL5726073

SCHEMBL5726073

COc1ccc(C=C2COc3cc(O)ccc3C2=O)cc1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.72
MIF P14174 3/20 0.68
MAPT P10636 5/20 0.67
ALDH1A1 P00352 3/20 0.67
CYP3A4 P08684 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
TP53 P04637 2/20 0.67
MAPK1 P28482 2/20 0.67
HPGD P15428 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
KDM4E B2RXH2 2/20 0.67
USP2 O75604 2/20 0.67
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CXCL12 P48061 1/20 0.62
ATM Q13315 1/20 0.60
APP P05067 2/20 0.57

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
SCHEMBL5725497 0.91 MAPT (0.77) MAOBMIFMAPTALDH1A1CYP3A4
SCHEMBL14160665 0.90 MAPT (0.82) MAOBMIFMAPTALDH1A1CYP3A4
SCHEMBL30274371 0.88 CXCL12 (0.80) MAOBMIFMAPTALDH1A1CYP3A4
SCHEMBL25035409 0.88 CXCL12 (0.80) MAOBMIFMAPTALDH1A1CYP3A4
SCHEMBL5725448 0.85 MAOB (0.67) MAOBMIFMAPTALDH1A1CYP3A4
SCHEMBL5724831 0.85 MAOB (0.67) MAOBMIFMAPTALDH1A1CYP3A4
Bonducellin SCHEMBL31053952 0.84 MAOB (1.00) MAOBMIFMAPTALDH1A1CYP3A4
Isobonducellin SCHEMBL31238399 0.84 MAOB (1.00) MAOBMIFMAPTALDH1A1CYP3A4
SCHEMBL8465775 0.82 APP (0.79) MAOBMIFMAPTALDH1A1CYP3A4
SCHEMBL8465773 0.82 APP (0.79) MAOBMIFMAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080781-A Tetralone or benzopyranone derivatives and a method for producing them SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 2000-06-27 US claimed
EP-0902003-B1 NOVEL TETRALONE OR BENZOPYRANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAIICHI SEIYAKU CO (JP) 2006-07-26 EP disclosed
US-6080781-A Tetralone or benzopyranone derivatives and a method for producing them SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 2000-06-27 US disclosed
EP-0902003-A1 NOVEL TETRALONE OR BENZOPYRANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-03-17 EP disclosed