SCHEMBL13899985

SCHEMBL13899985

Oc1ccc(Oc2cccc(Oc3ccc(Oc4cccc(Oc5ccc(O)c6ccccc56)c4)cc3)c2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NLRP1 Q9C000 1/20 0.44
NOD2 Q9HC29 1/20 0.44
TTR P02766 2/20 0.44
LTA4H P09960 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
FURIN P09958 2/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
ESRRA P11474 1/20 0.41
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL11078909 0.87 IDO1 (0.54) IDO1MEN1GAAMAPTKMT2A
SCHEMBL11214170 0.84 GAA (0.51) IDO1MEN1GAAMAPTKMT2A
SCHEMBL7531116 0.82 ESR1 (0.54) IDO1MEN1GAAMAPTKMT2A
SCHEMBL10867555 0.80 IDO1 (0.42) IDO1MEN1ALDH1A1GAAMAPT
SCHEMBL1581774 0.79 IDO1 (0.65) IDO1MEN1GAAMAPTKMT2A
SCHEMBL10331769 0.77 ESR1 (0.48) MEN1GAAMAPTKMT2ASMN1; SMN2
SCHEMBL4958922 0.76 TTR (0.65) MEN1KMT2ATTRLTA4HNR1H2
SCHEMBL5991731 0.76 THRA (0.56) MEN1MITFALDH1A1GAAMAPT
SCHEMBL5380053 0.76 THRA (0.56) MEN1MITFALDH1A1GAAMAPT
SCHEMBL774501 0.75 THRA (0.52) MEN1MITFALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511113-B2 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-03-31 US disclosed
US-7511113-B2 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-03-31 US disclosed
US-7452959-B2 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-11-18 US disclosed
US-7452959-B2 Oligomeric hydroxy arylether phthalonitiles and synthesis thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-11-18 US disclosed