SCHEMBL13846231

SCHEMBL13846231

COc1cc(/C=C/C(=O)NCCCCOc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 5/20 0.59
▸ TYR P14679 2/20 0.57
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MMP1 P03956 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ALOX5 P09917 4/20 0.55
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51
▸ TUBA3C P0DPH7 1/20 0.51
▸ TUBA1B P68363 1/20 0.51
▸ TUBA4A P68366 1/20 0.51

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 0.93 POLH (0.65) POLHTYRMEN1KMT2AKDM4E
SCHEMBL13846136 0.90 POLH (0.66) POLHTYRMEN1KMT2AKDM4E
SCHEMBL13846131 0.86 POLH (0.53) POLHMEN1KMT2AKDM4EMMP1
SCHEMBL13846134 0.86 POLH (0.58) POLHMEN1KMT2AKDM4EMMP1
SCHEMBL8442485 0.83 POLH (0.64) POLHMEN1KMT2AKDM4EMMP1
Curcumin SCHEMBL20291461 0.81 MEN1 (0.68) POLHTYRMEN1KMT2AKDM4E
SCHEMBL15227652 0.80 POLH (0.58) POLHTYRMEN1KMT2AKDM4E
SCHEMBL13846218 0.80 POLH (0.59) POLHTYRMEN1KMT2AKDM4E
Quercetin SCHEMBL8442487 0.79 MEN1 (0.70) POLHTYRMEN1KMT2AKDM4E
Curcumin SCHEMBL21049944 0.77 MEN1 (0.62) POLHTYRMEN1KMT2AKDM4E

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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