SCHEMBL13846215

SCHEMBL13846215

O=C(/C=C/c1ccc(O)c(O)c1)NCCCCc1c(-c2ccc(O)c(O)c2)oc2cc(OCCCNC(=O)/C=C/c3ccc(O)c(O)c3)cc(O)c2c1=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 4/20 0.49
▸ APP P05067 2/20 0.48
▸ BCL9 O00512 2/20 0.46
▸ CTNNB1 P35222 2/20 0.46
▸ ALOX5 P09917 8/20 0.45

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
SCHEMBL13846218 0.92 POLH (0.59) POLHAPPBCL9CTNNB1ALOX5
SCHEMBL13846134 0.89 POLH (0.58) POLHAPPBCL9CTNNB1ALOX5
SCHEMBL13846136 0.84 POLH (0.66) POLHAPPBCL9CTNNB1ALOX5
SCHEMBL13846223 0.83 POLH (0.65) POLHAPPBCL9CTNNB1ALOX5
SCHEMBL13846135 0.81 MEN1 (0.57) POLHAPPBCL9CTNNB1ALOX5
SCHEMBL13846225 0.80 POLH (0.47) POLHAPPBCL9CTNNB1ALOX5
SCHEMBL13846231 0.77 POLH (0.59) POLHALOX5
SCHEMBL21139372 0.77 MEN1 (0.50) POLHAPPBCL9CTNNB1ALOX5
SCHEMBL21139390 0.75 XDH (0.56) POLHAPP
SCHEMBL13846138 0.74 AKR1B1 (0.58) POLH

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-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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