SCHEMBL28598612

SCHEMBL28598612

CCCCCCCCCCCC(=O)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 2/20 0.64
▸ ALOX5 P09917 3/20 0.58
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ CYP1A2 P05177 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ RECQL P46063 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ IPMK Q8NFU5 3/20 0.56
▸ IP6K2 Q9UHH9 3/20 0.56
▸ CYP1A1 P04798 3/20 0.56
▸ CYP1B1 Q16678 3/20 0.56
▸ USP2 O75604 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ TSHR P16473 2/20 0.56

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
SCHEMBL925099 0.83 POLH (0.71) NOX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL4170099 0.83 POLH (0.71) NOX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL4172289 0.83 POLH (0.71) NOX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL4163382 0.83 POLH (0.71) NOX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL4170652 0.83 POLH (0.71) NOX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL4175309 0.83 POLH (0.71) NOX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL31236656 0.83 POLH (0.71) NOX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL4159135 0.83 POLH (0.71) NOX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL4170035 0.83 POLH (0.71) NOX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL4153380 0.83 POLH (0.71) NOX4ALOX5MEN1KMT2ACYP1A2

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
CN-110078695-B Quercetin derivative and preparation method thereof 浙江工业大学 2021-06-22 — — CN disclosed
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