SCHEMBL16639866

SCHEMBL16639866

C=Cc1ccc2c(c1)OCCOc1cc(C=C)ccc1OCCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
DYRK1A Q13627 1/20 0.50
DYRK2 Q92630 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
GSK3B P49841 1/20 0.47
RAB9A P51151 5/20 0.46
MAPT P10636 5/20 0.46
NPC1 O15118 3/20 0.46
ATM Q13315 2/20 0.46
CYP3A4 P08684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 2/20 0.44
CXCL12 P48061 1/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL3775431 1.00 KDM4E (0.53) KDM4EDYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL12764437 0.94 MAPT (0.53) KDM4EDYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL14777035 0.94 MAPT (0.53) KDM4EDYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL12764455 0.94 MAPT (0.53) KDM4EDYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL23658042 0.94 MAPT (0.53) KDM4EDYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL23658041 0.94 MAPT (0.53) KDM4EDYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL12764438 0.94 MAPT (0.53) KDM4EDYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL24772917 0.94 MAPT (0.53) KDM4EDYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL14787899 0.94 MAPT (0.53) KDM4EDYRK1ADYRK2DYRK1BALDH1A1
SCHEMBL81382 0.87 ALDH1A1 (0.64) KDM4EDYRK1ADYRK2DYRK1BALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9786941-B2 Metal ionophores in PEM membranes GM Global Technology Operations LLC (US) 2017-10-10 US disclosed
US-20150105239-A1 CROWN ETHER CONTAINING PEM ELECTRODE GM GLOBAL TECH OPERATIONS INC (US) 2015-04-16 US disclosed