SCHEMBL7729754

SCHEMBL7729754

CCCC1CCC(CCc2ccc(C(F)(F)Oc3ccc(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.35
CHRNA7 P36544 2/20 0.35
FFAR1 O14842 1/20 0.33
KIF11 P52732 1/20 0.33
GCGR P47871 1/20 0.32
MAOA P21397 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL7729761 1.00 MAOB (0.35) MAOBCHRNA7FFAR1KIF11GCGR
SCHEMBL7730455 0.94 MAOB (0.34) MAOBCHRNA7FFAR1KIF11KCNH2
SCHEMBL7730450 0.94 MAOB (0.34) MAOBCHRNA7FFAR1KIF11KCNH2
SCHEMBL7735402 0.93 MAOB (0.35) MAOBCHRNA7FFAR1KIF11KCNH2
SCHEMBL7735401 0.93 MAOB (0.35) MAOBCHRNA7FFAR1KIF11KCNH2
SCHEMBL7730811 0.93 MAOB (0.33) MAOBCHRNA7FFAR1KIF11KCNH2
SCHEMBL7730807 0.93 MAOB (0.33) MAOBCHRNA7FFAR1KIF11KCNH2
SCHEMBL7902063 0.90 MAOB (0.34) MAOBGCGRMAOAKCNH2
SCHEMBL8741892 0.90 MAOB (0.34) MAOBGCGRMAOAKCNH2
SCHEMBL7729967 0.87 ALDH1A1 (0.41) CHRNA7CYP11B1CYP11B2

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