SCHEMBL7730811

SCHEMBL7730811

CCCCCC1CCC(CCc2ccc(C(F)(F)Oc3ccc(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.33
CHRNA7 P36544 2/20 0.33
FFAR1 O14842 1/20 0.32
SLC7A5 Q01650 2/20 0.31
ALOX5 P09917 2/20 0.31
KIF11 P52732 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
PTGES O14684 1/20 0.31
PPARG P37231 1/20 0.31
PSEN1 P49768 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
S1PR3 Q99500 1/20 0.31
CNR2 P34972 1/20 0.31
KCNH2 Q12809 1/20 0.30
MOGAT2 Q3SYC2 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
SCHEMBL7730807 1.00 MAOB (0.33) MAOBCHRNA7FFAR1SLC7A5ALOX5
SCHEMBL7730455 0.97 MAOB (0.34) MAOBCHRNA7FFAR1SLC7A5ALOX5
SCHEMBL7730450 0.97 MAOB (0.34) MAOBCHRNA7FFAR1SLC7A5ALOX5
SCHEMBL7729761 0.93 MAOB (0.35) MAOBCHRNA7FFAR1KIF11KCNH2
SCHEMBL7729754 0.93 MAOB (0.35) MAOBCHRNA7FFAR1KIF11KCNH2
SCHEMBL7912099 0.90 TDP1 (0.34) MAOBITGB3ITGA2BCYP3A4CYP2C8
SCHEMBL7735402 0.90 MAOB (0.35) MAOBCHRNA7FFAR1SLC7A5KIF11
SCHEMBL7912105 0.90 TDP1 (0.34) MAOBITGB3ITGA2BCYP3A4CYP2C8
SCHEMBL7735401 0.90 MAOB (0.35) MAOBCHRNA7FFAR1SLC7A5KIF11
SCHEMBL7730689 0.88 MAPT (0.34) SLC7A5KIF11CYP2C9CNR2

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