SCHEMBL5725448

SCHEMBL5725448

CCOc1cc(C=C2COc3cc(O)ccc3C2=O)ccc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.67
MAPT P10636 5/20 0.66
ALDH1A1 P00352 3/20 0.66
CYP3A4 P08684 3/20 0.66
TP53 P04637 2/20 0.66
MAPK1 P28482 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 1/20 0.66
MIF P14174 2/20 0.63
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
HPGD P15428 2/20 0.62
KDM4E B2RXH2 1/20 0.62
USP2 O75604 1/20 0.62
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ATM Q13315 3/20 0.62
CXCL12 P48061 1/20 0.61
APP P05067 2/20 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
SCHEMBL5724831 0.96 MAOB (0.67) MAOBMAPTALDH1A1CYP3A4TP53
SCHEMBL5724946 0.95 MIF (0.67) MAOBMAPTALDH1A1CYP3A4TP53
SCHEMBL5725497 0.92 MAPT (0.77) MAOBMAPTALDH1A1CYP3A4TP53
SCHEMBL25035409 0.86 CXCL12 (0.80) MAOBMAPTALDH1A1CYP3A4TP53
SCHEMBL30274371 0.86 CXCL12 (0.80) MAOBMAPTALDH1A1CYP3A4TP53
SCHEMBL14160665 0.86 MAPT (0.82) MAOBMAPTALDH1A1CYP3A4TP53
SCHEMBL5726073 0.85 MAOB (0.72) MAOBMAPTALDH1A1CYP3A4TP53
SCHEMBL4737972 0.83 MAPT (0.83) MAOBMAPTALDH1A1CYP3A4TP53
SCHEMBL4735285 0.83 MAPT (0.83) MAOBMAPTALDH1A1CYP3A4TP53
SCHEMBL8465775 0.83 APP (0.79) MAOBMAPTALDH1A1CYP3A4TP53

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