SCHEMBL7778774

SCHEMBL7778774

CCC[C@H]1CO[C@H]([C@H]2CO[C@H](c3ccc(OC(F)(F)F)cc3)OC2)OC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
LIPE Q05469 6/20 0.34
TSHR P16473 1/20 0.33
PDE2A O00408 1/20 0.32
SCN9A Q15858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MDM2 Q00987 1/20 0.31
TEAD1 P28347 2/20 0.31
KDM2B Q8NHM5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7778778 1.00 KDM1A (0.39) KDM1ARCOR1LIPETSHRPDE2A
SCHEMBL7781337 0.93 KDM1A (0.38) KDM1ARCOR1LIPETSHRPDE2A
SCHEMBL7781339 0.93 KDM1A (0.38) KDM1ARCOR1LIPETSHRPDE2A
SCHEMBL8997276 0.92 KDM1A (0.44) KDM1ARCOR1LIPETSHRSCN9A
SCHEMBL7774591 0.92 KDM1A (0.37) KDM1ARCOR1LIPETSHRSCN9A
SCHEMBL7774593 0.92 KDM1A (0.37) KDM1ARCOR1LIPETSHRSCN9A
SCHEMBL7781353 0.86 KDM1A (0.40) KDM1ARCOR1LIPETSHRSCN9A
SCHEMBL7781349 0.86 KDM1A (0.40) KDM1ARCOR1LIPETSHRSCN9A
SCHEMBL9060783 0.86 KDM1A (0.40) KDM1ARCOR1LIPETSHRTEAD1
SCHEMBL9060778 0.86 KDM1A (0.40) KDM1ARCOR1LIPETSHRTEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0732330-B1 Di-1,3-dioxane derivatives useful as liquid crystals ROLIC AG (CH) 2001-09-12 EP claimed
US-5667721-A Liquid crystalline di-1,3-dioxane derivatives ROLIC AG (CH) 1997-09-16 US claimed
EP-0732330-A1 Di-1,3-dioxane derivatives useful as liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1996-09-18 EP claimed
EP-0732330-B1 Di-1,3-dioxane derivatives useful as liquid crystals ROLIC AG (CH) 2001-09-12 EP disclosed
US-5667721-A Liquid crystalline di-1,3-dioxane derivatives ROLIC AG (CH) 1997-09-16 US disclosed
EP-0732330-A1 Di-1,3-dioxane derivatives useful as liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1996-09-18 EP disclosed