SCHEMBL9958094

SCHEMBL9958094

COc1cc(C=CC(=O)Oc2cc(OC(=O)C=Cc3ccc(OCC=C(C)C)c(OC)c3)c3c(=O)c(OC(=O)C=Cc4ccc(OCC=C(C)C)c(OC)c4)c(-c4ccc(O)c(O)c4)oc3c2)ccc1OCC=C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 6/20 0.51
▸ ALOX5 P09917 1/20 0.45
▸ PLG P00747 1/20 0.44
▸ NOX4 Q9NPH5 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ ABCG2 Q9UNQ0 4/20 0.43
▸ ABCB1 P08183 3/20 0.43
▸ ABCC1 P33527 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL9958617 0.90 ABCG2 (0.51) PTGESALOX5PLGNOX4HDAC3
SCHEMBL8442485 0.79 POLH (0.64) PLGNOX4ABCG2KDM4EMEN1
SCHEMBL3989919 0.78 NOX4 (0.59) ALOX5PLGNOX4HDAC6ABCG2
SCHEMBL17938761 0.74 CYP3A4 (0.61) ABCG2ABCB1KDM4EMEN1CYP3A4
SCHEMBL3404530 0.73 AKR1B1 (0.64) ALOX5PLGNOX4HDAC6ABCG2
SCHEMBL3173862 0.72 ABCG2 (0.62) ABCG2ABCB1ABCC1KDM4EMEN1
SCHEMBL23871902 0.72 KDM4E (0.53) PLGNOX4ABCG2ABCB1ABCC1
SCHEMBL31287228 0.70 EPHX2 (0.63) ALOX5NOX4HDAC6ABCG2ABCB1
SCHEMBL3985496 0.70 MEN1 (0.64) ALOX5PLGNOX4HDAC6ABCG2
SCHEMBL23278846 0.70 ADORA3 (0.72) ABCG2ABCB1ABCC1KDM4EMEN1

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
EP-2468741-A1 Novel quercetin derivatives, their preparation, pharmaceutical compositions containing them and their use Bel/Novamann International s.r.o. (SK) 2012-06-27 — — EP disclosed
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