SCHEMBL5724952

SCHEMBL5724952

O=C1C(=Cc2ccc3c(c2)OCCO3)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
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
ACHE P22303 1/20 0.57
APP P05067 3/20 0.57
MAOA P21397 3/20 0.54
CYP3A4 P08684 3/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DYRK1A Q13627 1/20 0.51
DYRK2 Q92630 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
SCHEMBL5724935 0.93 MIF (0.76) MIFMAOBMEN1KMT2ATDP1
SCHEMBL29837280 0.87 MIF (1.00) MIFMAOBMEN1KMT2ATDP1
Sappanone A SCHEMBL29651769 0.85 MIF (0.80) MIFMAOBMEN1KMT2ATDP1
Sappanone A SCHEMBL2521583 0.85 MIF (0.80) MIFMAOBMEN1KMT2ATDP1
SCHEMBL8461421 0.84 MIF (0.67) MIFMAOBMEN1KMT2ATDP1
SCHEMBL8461418 0.84 MIF (0.67) MIFMAOBMEN1KMT2ATDP1
SCHEMBL6965941 0.81 MAOA (0.71) MAOBMEN1KMT2AMAOAMAPT
SCHEMBL5726073 0.80 MAOB (0.72) MIFMAOBMEN1KMT2ATDP1
SCHEMBL5725497 0.80 MAPT (0.77) MIFMAOBMEN1KMT2ATDP1
Isobonducellin SCHEMBL31238399 0.79 MAOB (1.00) MIFMAOBMEN1KMT2ATDP1

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