SCHEMBL6664874

SCHEMBL6664874

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
PDE2A O00408 4/20 0.33
GPR139 Q6DWJ6 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
HSD11B1 P28845 1/20 0.31
CCR6 P51684 1/20 0.30
KCNH2 Q12809 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL6666728 0.92 HTR2C (0.33)
SCHEMBL6667752 0.89 HTR2C (0.40)
SCHEMBL6665438 0.88 PDE2A (0.33) L3MBTL1PDE2AGPR139HRH3ALDH1A1
SCHEMBL6661104 0.88 ESR2 (0.35)
SCHEMBL6663864 0.88 ACACB (0.33) L3MBTL1PDE2AGPR139HRH3KDM1A
SCHEMBL6663467 0.86 ESR2 (0.36) L3MBTL1PDE2AGPR139HRH3ALDH1A1
SCHEMBL6663937 0.86
SCHEMBL6666587 0.86
SCHEMBL6663968 0.85 ACACB (0.32) ALDH1A1
SCHEMBL6668681 0.85 PDE2A (0.38) PDE2AEPHX2

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