SCHEMBL4051739

SCHEMBL4051739

COc1cc(OC(C)=O)c2c(=O)cc(-c3ccccc3)oc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.78
▸ CYP3A4 P08684 5/20 0.78
▸ MAPT P10636 5/20 0.78
▸ ALDH1A1 P00352 3/20 0.78
▸ HSD17B10 Q99714 3/20 0.78
▸ SMN1; SMN2 Q16637 2/20 0.78
▸ HPGD P15428 2/20 0.78
▸ ABCG2 Q9UNQ0 4/20 0.77
▸ MEN1 O00255 3/20 0.77
▸ KMT2A Q03164 3/20 0.77
▸ NPC1 O15118 2/20 0.77
▸ RAB9A P51151 1/20 0.77
▸ ABCB1 P08183 4/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ ALOX12 P18054 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ CASP1 P29466 1/20 0.65
▸ CASP7 P55210 1/20 0.65

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
Chrysin Diacetate SCHEMBL15263635 0.93 KDM4E (0.78) KDM4ECYP3A4MAPTALDH1A1HSD17B10
Acacetin Diacetate SCHEMBL10026579 0.88 CYP3A4 (1.00) KDM4ECYP3A4MAPTALDH1A1HSD17B10
Chrysin Dimethyl Ether SCHEMBL1676012 0.87 ABCG2 (1.00) KDM4ECYP3A4MAPTALDH1A1HSD17B10
Chrysin Dimethyl Ether SCHEMBL29403280 0.87 ABCG2 (1.00) KDM4ECYP3A4MAPTALDH1A1HSD17B10
SCHEMBL28632938 0.85 CYP3A4 (0.71) KDM4ECYP3A4MAPTALDH1A1HSD17B10
SCHEMBL971180 0.84 CREB1 (0.66) KDM4ECYP3A4MAPTALDH1A1HSD17B10
Apigenin Triacetate SCHEMBL1676023 0.84 KDM4E (0.88) KDM4ECYP3A4MAPTALDH1A1HSD17B10
SCHEMBL972738 0.82 CREB1 (0.70) KDM4ECYP3A4MAPTALDH1A1HSD17B10
SCHEMBL974333 0.82 ABCB1 (0.68) KDM4ECYP3A4MAPTALDH1A1HSD17B10
Techtochrysin SCHEMBL249043 0.81 MAPT (1.00) KDM4ECYP3A4MAPTALDH1A1HSD17B10

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-2009110008-A1 ANTI-ULCER ACTIVITY OF FLAVONE ANALOGS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-11 — — WO disclosed
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