SCHEMBL13445816

SCHEMBL13445816

COc1ccc(-c2oc3c(OC)c(OC)cc(OC(C)=O)c3c(=O)c2OC)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ HSD17B10 Q99714 1/20 0.68
▸ ABCB1 P08183 2/20 0.67
▸ ABCG2 Q9UNQ0 2/20 0.67
▸ GAA P10253 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ BCL9 O00512 12/20 0.62
▸ CTNNB1 P35222 12/20 0.62
▸ TUBB4A P04350 2/20 0.55
▸ TUBB P07437 2/20 0.55
▸ TUBA3C P0DPH7 2/20 0.55
▸ TUBA1B P68363 2/20 0.55
▸ TUBA4A P68366 2/20 0.55
▸ TUBB4B P68371 2/20 0.55

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
SCHEMBL988273 0.89 ABCB1 (0.78) KDM4EMEN1ALDH1A1CYP3A4MAPK1
SCHEMBL13464140 0.88 ABCG2 (0.60) KDM4EMEN1ALDH1A1CYP3A4MAPK1
SCHEMBL1764425 0.83 KDM4E (0.74) KDM4EABCB1ABCG2GAAMAPT
SCHEMBL30819242 0.83 KDM4E (0.74) KDM4EABCB1ABCG2GAAMAPT
SCHEMBL25221318 0.82 ABCG2 (0.78) KDM4EMEN1ALDH1A1CYP3A4MAPK1
SCHEMBL24895133 0.81 KDM4E (0.67) KDM4ECYP3A4ABCB1ABCG2GAA
SCHEMBL17179788 0.81 MEN1 (1.00) KDM4EMEN1ALDH1A1CYP3A4MAPK1
3,5,6,7,8,3',4'-Heptamethoxyflavone SCHEMBL29467229 0.80 ABCG2 (1.00) KDM4EMEN1ALDH1A1CYP3A4MAPK1
3,5,6,7,8,3',4'-Heptamethoxyflavone SCHEMBL1764676 0.80 ABCG2 (1.00) KDM4EMEN1ALDH1A1CYP3A4MAPK1
3,5,6,7,8,3',4'-Heptamethoxyflavone SCHEMBL31621487 0.80 ABCG2 (1.00) KDM4EMEN1ALDH1A1CYP3A4MAPK1

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
US-7683095-B2 Compositions and methods of treating, reducing and preventing cardiovascular diseases and disorders with polymethoxyflavones THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2010-03-23 — — US disclosed
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