SCHEMBL8748018

SCHEMBL8748018

CCCC1CCC(/C=C/c2cccc(F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
MAOA P21397 3/20 0.53
NFE2L2 Q16236 10/20 0.46
RELA Q04206 1/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 1/20 0.39
NQO2 P16083 1/20 0.38
ATM Q13315 1/20 0.37
FBP1 P09467 1/20 0.37

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
SCHEMBL27904620 1.00 MAOB (0.53) MAOBMAOANFE2L2RELAPTGS1
SCHEMBL8748022 1.00 MAOB (0.53) MAOBMAOANFE2L2RELAPTGS1
SCHEMBL8028324 1.00 MAOB (0.53) MAOBMAOANFE2L2RELAPTGS1
SCHEMBL3626610 0.82 MAOA (0.47) MAOBMAOA
SCHEMBL28006649 0.82 MAOA (0.47) MAOBMAOA
SCHEMBL28082289 0.82 MAOA (0.47) MAOBMAOA
SCHEMBL28082291 0.82 MAOA (0.47) MAOBMAOA
SCHEMBL9630897 0.82 MAOB (0.34) MAOBMAOAPTGS1PTGS2
SCHEMBL8737349 0.82 MAOB (0.34) MAOBMAOAPTGS1PTGS2
SCHEMBL8737347 0.82 MAOB (0.34) MAOBMAOAPTGS1PTGS2

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-0761799-A1 Liquid crystalline compound substituted with fluorine containing group, liquid crystal composition, and liquid crystal display device Chisso Corporation (JP) 1997-03-12 EP disclosed