SCHEMBL13846136

SCHEMBL13846136

O=C(/C=C/c1ccc(O)c(O)c1)NCCCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 7/20 0.66
▸ AKR1B1 P15121 2/20 0.56
▸ KDM4E B2RXH2 4/20 0.55
▸ POLB P06746 4/20 0.55
▸ GAA P10253 4/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ RECQL P46063 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ MMP1 P03956 2/20 0.55
▸ APEX1 P27695 2/20 0.55
▸ BLM P54132 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ SRC P12931 2/20 0.52
▸ APP P05067 3/20 0.52
▸ EPHX2 P34913 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ USP2 O75604 2/20 0.49

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
SCHEMBL13846223 0.97 POLH (0.65) POLHAKR1B1KDM4EPOLBGAA
SCHEMBL13846134 0.95 POLH (0.58) POLHAKR1B1KDM4EPOLBGAA
SCHEMBL13846231 0.90 POLH (0.59) POLHAKR1B1KDM4EPOLBGAA
SCHEMBL13846218 0.85 POLH (0.59) POLHAKR1B1KDM4EPOLBGAA
SCHEMBL13846215 0.84 POLH (0.49) POLHAPPALOX5BCL9CTNNB1
SCHEMBL13846131 0.82 POLH (0.53) POLHAKR1B1KDM4EPOLBGAA
SCHEMBL20630211 0.81 POLH (0.67) POLHAKR1B1KDM4EPOLBGAA
SCHEMBL3404530 0.81 AKR1B1 (0.64) POLHAKR1B1KDM4EPOLBGAA
SCHEMBL25304942 0.80 POLH (1.00) POLHAKR1B1KDM4EPOLBGAA
SCHEMBL30663836 0.80 POLH (1.00) POLHAKR1B1KDM4EPOLBGAA

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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