SCHEMBL7730455

SCHEMBL7730455

CCCCC1CCC(CCc2ccc(C(F)(F)Oc3ccc(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
CHRNA7 P36544 2/20 0.34
HRH3 Q9Y5N1 1/20 0.32
FFAR1 O14842 1/20 0.32
SLC7A5 Q01650 2/20 0.32
KIF11 P52732 1/20 0.32
ALOX5 P09917 2/20 0.31
PTGES O14684 1/20 0.31
PPARG P37231 1/20 0.31
PSEN1 P49768 1/20 0.31
KCNH2 Q12809 1/20 0.31
MOGAT2 Q3SYC2 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
SCHEMBL7730450 1.00 MAOB (0.34) MAOBCHRNA7HRH3FFAR1SLC7A5
SCHEMBL7730807 0.97 MAOB (0.33) MAOBCHRNA7FFAR1SLC7A5KIF11
SCHEMBL7730811 0.97 MAOB (0.33) MAOBCHRNA7FFAR1SLC7A5KIF11
SCHEMBL7729761 0.94 MAOB (0.35) MAOBCHRNA7FFAR1KIF11KCNH2
SCHEMBL7729754 0.94 MAOB (0.35) MAOBCHRNA7FFAR1KIF11KCNH2
SCHEMBL7735402 0.91 MAOB (0.35) MAOBCHRNA7FFAR1SLC7A5KIF11
SCHEMBL7735401 0.91 MAOB (0.35) MAOBCHRNA7FFAR1SLC7A5KIF11
SCHEMBL7909953 0.90 HRH3 (0.34) MAOBHRH3MOGAT2
SCHEMBL7909946 0.90 HRH3 (0.34) MAOBHRH3MOGAT2
SCHEMBL7731204 0.87 ALDH1A1 (0.35) CHRNA7SLC7A5KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
EP-0786508-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-01-17 EP disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed
EP-0786508-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed