SCHEMBL6449448

SCHEMBL6449448

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
TRPM4 Q8TD43 1/20 0.34
DAO P14920 1/20 0.33
DDO Q99489 1/20 0.33
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPN1 P18031 2/20 0.32
NCEH1 Q6PIU2 1/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
MITF O75030 1/20 0.32
MAPT P10636 1/20 0.32
NCOA1 Q15788 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
ALOX5 P09917 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
SCHEMBL6440976 0.79 ALDH1A1 (0.37) KDM4EALDH1A1TRPM4CYP1A2SMN1; SMN2
SCHEMBL6445463 0.79 ALDH1A1 (0.46) KDM4EALDH1A1HPGDCYP1A2SMN1; SMN2
SCHEMBL6442084 0.77 CA2 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6445432 0.71 HSD17B10 (0.41) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL6441756 0.71 AR (0.43) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL17537056 0.70 ALDH1A1 (0.49) KDM4EALDH1A1HPGDCYP1A2MEN1
SCHEMBL31442188 0.69 CA1 (0.40) KDM4EALDH1A1HPGD
SCHEMBL9751705 0.69 KCNN4 (0.38) KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL30312307 0.69 GAA (0.56) KDM4EALDH1A1HPGDCYP1A2MEN1
SCHEMBL6232041 0.69 GAA (0.56) KDM4EALDH1A1HPGDCYP1A2MEN1

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