SCHEMBL7902063

SCHEMBL7902063

CCC[C@H]1CC[C@H](CCc2ccc(C(F)(F)Oc3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.34
MAOA P21397 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GCGR P47871 1/20 0.32
KCNH2 Q12809 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL8741892 1.00 MAOB (0.34) MAOBMAOAALDH1A1MAPTHTT
SCHEMBL7909953 0.93 HRH3 (0.34) MAOBMAOA
SCHEMBL7909946 0.93 HRH3 (0.34) MAOBMAOA
SCHEMBL7915593 0.93 MAOB (0.34) MAOBALDH1A1MAPTHTTL3MBTL1
SCHEMBL7915598 0.93 MAOB (0.34) MAOBALDH1A1MAPTHTTL3MBTL1
SCHEMBL7912099 0.92 TDP1 (0.34) MAOBMAOA
SCHEMBL7912105 0.92 TDP1 (0.34) MAOBMAOA
SCHEMBL7729761 0.90 MAOB (0.35) MAOBMAOAGCGRKCNH2
SCHEMBL7729754 0.90 MAOB (0.35) MAOBMAOAGCGRKCNH2
SCHEMBL7729774 0.89 MAOB (0.35) MAOBMAOAGCGRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786509-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-09-12 EP disclosed
EP-0786509-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed