SCHEMBL6440976

SCHEMBL6440976

Oc1cc2ccccc2cc1OC(F)(F)C(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTBP1 P26599 1/20 0.36
TRPM4 Q8TD43 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.33
EPHX2 P34913 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL6449448 0.79 KDM4E (0.35) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6445429 0.79 NQO1 (0.46) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL4790420 0.77 TSHR (0.45) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL30881973 0.74 TSHR (0.39) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL2164875 0.74 TSHR (0.39) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6441902 0.71 MAPT (0.46) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6442340 0.71 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL31442188 0.69 CA1 (0.40) ALDH1A1KDM4E
SCHEMBL30312307 0.69 GAA (0.56) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6232041 0.69 GAA (0.56) ALDH1A1MEN1KMT2AMAPTKDM4E

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-0893444-B1 Process for reparing 2,2,3,3-tetrafluoro-1,4-benzodioxanes, new o-(2-bromo-1,1,2,2,-tetrafluoroethoxy)-phenols and new2-bromo-1,1,2,2-tetrafuoroethoxy-phenylethers LANXESS DEUTSCHLAND GMBH (DE) 2005-11-02 EP disclosed
US-5936102-A CYCLOCONDENSING O-(2-BROMOTETRAFLUOROETHOXY)PHENOL IN THE PRESENCE OF ACID BINDER BAYER AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
EP-0893444-A1 Process for reparing 2,2,3,3-tetrafluoro-1,4-benzodioxanes, new o-(2-bromo-1,1,2,2,-tetrafluoroethoxy)-phenols and new2-bromo-1,1,2,2-tetrafuoroethoxy-phenylethers BAYER AG (DE) 1999-01-27 EP disclosed