SCHEMBL28026370

SCHEMBL28026370

COc1c(C)cc2c(=O)cc(-c3ccc(O)cc3)oc2c1C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 2/20 0.57
▸ CSNK2B P67870 2/20 0.57
▸ CSNK2A1 P68400 2/20 0.57
▸ PPARG P37231 2/20 0.57
▸ CYP1A1 P04798 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP1B1 Q16678 1/20 0.55
▸ MAPT P10636 5/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ CYP2C9 P11712 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MAPK1 P28482 2/20 0.49

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
SCHEMBL29113113 0.91 TUBB4A (0.60) CSNK2A2CSNK2BCSNK2A1PPARGCYP1A1
SCHEMBL30683188 0.91 TUBB4A (0.60) CSNK2A2CSNK2BCSNK2A1PPARGCYP1A1
SCHEMBL8934506 0.77 TUBB4A (0.79) CSNK2A2CSNK2BCSNK2A1PPARGCYP1A1
SCHEMBL30051182 0.75 PPARG (0.85) PPARGMAPTKDM4EMEN1KMT2A
SCHEMBL2622796 0.75 PPARG (0.85) PPARGMAPTKDM4EMEN1KMT2A
SCHEMBL13355967 0.74 CYP1A1 (0.70) CSNK2A2CSNK2BCSNK2A1PPARGCYP1A1
SCHEMBL19410864 0.73 TUBB4A (0.55) CSNK2A2CSNK2BCSNK2A1PPARGCYP1A1
Xanthomicrol SCHEMBL6257160 0.73 PPARG (1.00) PPARGMAPTKDM4EMEN1KMT2A
SCHEMBL30269738 0.72 CYP1A2 (0.67) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2
Isothymusin SCHEMBL31483965 0.71 PPARG (0.87) PPARGMAPTKDM4EMEN1KMT2A

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
CN-104761525-A Flavonoid compound, and preparation method and application thereof UNIV YUNNAN NATIONALITIES 2015-07-08 — — CN claimed
CN-104761525-B A kind of flavone compound and preparation method and application 云南民族大学 2016-08-24 — — CN disclosed
CN-104761525-A Flavonoid compound, and preparation method and application thereof UNIV YUNNAN NATIONALITIES 2015-07-08 — — CN disclosed
CN-104761525-A Flavonoid compound, and preparation method and application thereof UNIV YUNNAN NATIONALITIES 2015-07-08 — — CN disclosed
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