SCHEMBL5280241

SCHEMBL5280241

COc1ccc(-c2cc(=O)c3ccc(O)c(O)c3o2)cc1OC.O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 6/20 0.80
FYN P06241 1/20 0.64
PABPC1 P11940 1/20 0.61
CYP3A4 P08684 6/20 0.60
CYP2C9 P11712 4/20 0.60
CYP2C19 P33261 4/20 0.60
MEN1 O00255 3/20 0.60
TP53 P04637 3/20 0.60
KMT2A Q03164 3/20 0.60
TNKS O95271 2/20 0.60
TNKS2 Q9H2K2 2/20 0.60
ABCB1 P08183 2/20 0.60
CSNK2A2 P19784 3/20 0.60
CSNK2B P67870 3/20 0.60
CSNK2A1 P68400 3/20 0.60
ESR2 Q92731 1/20 0.60
ALDH1A1 P00352 5/20 0.59
HPGD P15428 5/20 0.59
KDM4E B2RXH2 4/20 0.59
HSD17B10 Q99714 4/20 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
SCHEMBL1778286 0.89 TERT (1.00) TERTFYNCYP3A4CYP2C9CYP2C19
SCHEMBL4400168 0.88 FYN (0.81) TERTFYNPABPC1CYP3A4CYP2C9
SCHEMBL29929667 0.85 CSNK2A2 (0.81) FYNPABPC1CYP3A4CYP2C9CYP2C19
SCHEMBL29435862 0.85 CSNK2A2 (0.81) FYNPABPC1CYP3A4CYP2C9CYP2C19
SCHEMBL9663466 0.85 CSNK2A2 (0.81) FYNPABPC1CYP3A4CYP2C9CYP2C19
SCHEMBL6613017 0.83 TERT (0.88) TERTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL9663461 0.83 CSNK2A2 (0.87) PABPC1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL6614126 0.82 TERT (1.00) TERTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL30960382 0.82 TNKS (0.71) TERTFYNPABPC1CYP3A4CYP2C9
SCHEMBL1744293 0.82 TNKS (0.71) TERTFYNPABPC1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006056297-A9 FLAVONOID COMPLEXES COMPRISING CYCLODEXTRINES MERCK PATENT GMBH (DE) 2007-05-31 WO disclosed