SCHEMBL6663467

SCHEMBL6663467

CC1CCC(c2ccc(C(F)(F)OC(C)c3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
PDE2A O00408 4/20 0.36
EPHX2 P34913 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
IDH1 O75874 1/20 0.33
HSD11B1 P28845 1/20 0.32
CCR6 P51684 1/20 0.32
KCNH2 Q12809 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL6663434 0.91 ESR2 (0.42) ESR2KCNH2
SCHEMBL6667648 0.87 PDE2A (0.36) PDE2AEPHX2HRH3L3MBTL1GPR139
SCHEMBL6662713 0.86 ALDH1A1 (0.40) PDE2AEPHX2L3MBTL1GPR139ALDH1A1
SCHEMBL6664874 0.86 L3MBTL1 (0.34) PDE2AEPHX2HRH3L3MBTL1GPR139
SCHEMBL6665438 0.85 PDE2A (0.33) PDE2AHRH3L3MBTL1GPR139ALDH1A1
SCHEMBL6665370 0.85 PDE2A (0.34) PDE2AEPHX2L3MBTL1GPR139ALDH1A1
SCHEMBL6665032 0.84 PDE2A (0.34) PDE2AEPHX2L3MBTL1GPR139ALDH1A1
SCHEMBL6667955 0.83 ESR2 (0.36) ESR2ALDH1A1
SCHEMBL6663970 0.83 PDE2A (0.33) PDE2AEPHX2GPR139ALDH1A1KDM1A
SCHEMBL6668743 0.83 PDE2A (0.33) PDE2AEPHX2GPR139ALDH1A1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed