SCHEMBL5724935

SCHEMBL5724935

O=C1C(=Cc2ccc3c(c2)OCO3)COc2cc(O)ccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.76
MAOB P27338 6/20 0.65
TDP1 Q9NUW8 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ACHE P22303 1/20 0.57
APP P05067 2/20 0.57
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 1/20 0.54
MAOA P21397 3/20 0.54
CYP3A4 P08684 2/20 0.54
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CXCL12 P48061 1/20 0.51

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
SCHEMBL5724952 0.93 MIF (0.76) MIFMAOBTDP1MEN1KMT2A
SCHEMBL8461418 0.91 MIF (0.67) MIFMAOBTDP1MEN1KMT2A
SCHEMBL8461421 0.91 MIF (0.67) MIFMAOBTDP1MEN1KMT2A
SCHEMBL29837280 0.87 MIF (1.00) MIFMAOBTDP1MEN1KMT2A
Sappanone A SCHEMBL2521583 0.85 MIF (0.80) MIFMAOBTDP1MEN1KMT2A
Sappanone A SCHEMBL29651769 0.85 MIF (0.80) MIFMAOBTDP1MEN1KMT2A
SCHEMBL25843203 0.83 MAOB (0.68) MIFMAOBTDP1MEN1KMT2A
SCHEMBL5725216 0.81 MIF (1.00) MIFMAOBTDP1MEN1KMT2A
SCHEMBL6967942 0.81 MAOA (0.71) MIFMAOBMEN1KMT2AMAPT
SCHEMBL6967945 0.81 MAOA (0.71) MIFMAOBMEN1KMT2AMAPT

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
EP-0902003-B1 NOVEL TETRALONE OR BENZOPYRANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAIICHI SEIYAKU CO (JP) 2006-07-26 EP disclosed
CN-1127470-C Novel tetralone or benzopyranone derivs and process for producing same DAIICHI SEIYAKU CO (JP) 2003-11-12 CN 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