SCHEMBL3404530

SCHEMBL3404530

O=C(C=Cc1ccc(O)c(O)c1)Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.64
▸ EPHX2 P34913 2/20 0.64
▸ POLH Q9Y253 7/20 0.63
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ KDM4E B2RXH2 4/20 0.63
▸ POLB P06746 4/20 0.63
▸ GAA P10253 4/20 0.63
▸ RECQL P46063 3/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ MAPT P10636 3/20 0.63
▸ MMP1 P03956 2/20 0.63
▸ APEX1 P27695 2/20 0.63
▸ BLM P54132 2/20 0.63
▸ HTT P42858 1/20 0.63
▸ SRC P12931 5/20 0.57
▸ USP2 O75604 2/20 0.57
▸ TP53 P04637 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57

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
SCHEMBL5090723 0.95 AKR1B1 (0.59) AKR1B1EPHX2POLHMEN1KMT2A
SCHEMBL31287228 0.95 EPHX2 (0.63) AKR1B1EPHX2POLHMEN1KMT2A
SCHEMBL3989919 0.94 NOX4 (0.59) AKR1B1EPHX2POLHMEN1KMT2A
SCHEMBL8442485 0.92 POLH (0.64) AKR1B1EPHX2POLHMEN1KMT2A
SCHEMBL17938761 0.85 CYP3A4 (0.61) AKR1B1EPHX2POLHMEN1KMT2A
SCHEMBL3985496 0.84 MEN1 (0.64) AKR1B1EPHX2POLHMEN1KMT2A
SCHEMBL4175201 0.82 POLH (0.76) AKR1B1EPHX2POLHMEN1KMT2A
SCHEMBL31236662 0.82 POLH (0.76) AKR1B1EPHX2POLHMEN1KMT2A
SCHEMBL7940707 0.82 EPHX2 (0.72) AKR1B1EPHX2POLHMEN1KMT2A
SCHEMBL13846136 0.81 POLH (0.66) AKR1B1EPHX2POLHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250271-A2 METHODS AND COMPOSITIONS FOR MODIFYING PLANT FLAVONOID COMPOSITION AND DISEASE RESISTANCE Norfolk Plant Sciences Limited (GB) 2010-11-17 — — EP disclosed
WO-2009103960-A2 METHODS AND COMPOSITIONS FOR MODIFYING PLANT FLAVONOID COMPOSITION AND DISEASE RESISTANCE NORFOLK PLANT SCIENCES LIMITED (GB) 2009-08-27 — — WO disclosed
WO-2009064485-A1 ANTIOXIDANT FLAVONOID DERIVATIVES TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-05-22 — — WO disclosed
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