SCHEMBL2898728

SCHEMBL2898728

Oc1ccc(Oc2cncc(Oc3ccc(O)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
LTA4H P09960 5/20 0.52
NR1H2 P55055 1/20 0.52
BAX Q07812 1/20 0.52
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP10 Q53GL7 1/20 0.39
F10 P00742 2/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39

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
SCHEMBL2904931 0.94 ESR2 (0.48) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL2903830 0.84 HSD17B1 (0.47) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL2898802 0.80 LTA4H (0.60) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL4273485 0.79 HTT (0.61) MEN1KMT2ALTA4HALDH1A1HTT
SCHEMBL5317075 0.78 KDM4E (0.62) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL24920872 0.78 ESR1 (0.46) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL2906351 0.76 MEN1 (0.64) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL2903641 0.75 LTA4H (0.54) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL2905330 0.75 LTA4H (0.54) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL2905883 0.75 HPGD (0.53) MEN1KMT2AESR1ESR2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636209-B1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT SUMITOMO CHEMICAL CO (JP) 2010-08-11 EP disclosed
US-7279574-B2 Epoxy compound and cured epoxy resin product SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060159929-A1 Epoxy compound and cured epoxy resin product HITACHI, LTD. (JP) 2006-07-20 US disclosed