SCHEMBL25761565

SCHEMBL25761565

O=Nc1cc(O)cc2oc(-c3cc(O)c(O)c(Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)cc6)oc5c4)c3)c(O)c(=O)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.60
▸ MEN1 O00255 8/20 0.60
▸ KMT2A Q03164 8/20 0.60
▸ CYP1A1 P04798 7/20 0.60
▸ CYP1B1 Q16678 7/20 0.60
▸ ABCB1 P08183 7/20 0.60
▸ XDH P47989 6/20 0.60
▸ CYP3A4 P08684 6/20 0.60
▸ FTO Q9C0B1 5/20 0.60
▸ IPMK Q8NFU5 5/20 0.60
▸ IP6K2 Q9UHH9 5/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ CYP2C9 P11712 5/20 0.60
▸ HSD17B10 Q99714 5/20 0.60
▸ MAPT P10636 5/20 0.60
▸ ALOX15 P16050 4/20 0.60
▸ HIF1A Q16665 4/20 0.60
▸ DPP4 P27487 4/20 0.60
▸ APP P05067 4/20 0.60
▸ BCHE P06276 4/20 0.60

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
Myricetin SCHEMBL15609358 0.79 MEN1 (0.89) CYP1A2MEN1KMT2ACYP1A1CYP1B1
SCHEMBL13964377 0.79 MEN1 (0.74) CYP1A2MEN1KMT2ACYP1A1CYP1B1
Kaempferol SCHEMBL18817 0.77 MEN1 (1.00) CYP1A2MEN1KMT2ACYP1A1CYP1B1
Kaempferol SCHEMBL29378805 0.77 MEN1 (1.00) CYP1A2MEN1KMT2ACYP1A1CYP1B1
Kaempferol SCHEMBL30655455 0.77 MEN1 (1.00) CYP1A2MEN1KMT2ACYP1A1CYP1B1
Kaempferol SCHEMBL1259228 0.77 MEN1 (1.00) CYP1A2MEN1KMT2ACYP1A1CYP1B1
SCHEMBL21347799 0.76 MEN1 (0.74) CYP1A2MEN1KMT2ACYP1A1CYP1B1
SCHEMBL13458641 0.76 MEN1 (0.58) CYP1A2MEN1KMT2ACYP1A1CYP1B1
Kaempferol SCHEMBL31749037 0.76 MEN1 (0.97) CYP1A2MEN1KMT2ACYP1A1CYP1B1
Kaempferol SCHEMBL17237761 0.76 MEN1 (0.97) CYP1A2MEN1KMT2ACYP1A1CYP1B1

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-2023128771-A1 METHOD FOR EXTRACTING FLAVONOLS DERIVED FROM TROPICAL FRUIT WASTE TO PRESERVE FRESH AND CUT FOODS, AND COMPOSITION COMPRISING SAME BIO NATURAL SOLUTIONS S.A.C. (PE) 2023-07-06 — — WO disclosed
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