SCHEMBL8747932

SCHEMBL8747932

CCCCC1CCC(CCC2CCC(CCc3ccc(C(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
KIF11 P52732 2/20 0.38
KDM1A O60341 1/20 0.35
CNR2 P34972 2/20 0.35
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
CYP1A2 P05177 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DPP4 P27487 2/20 0.34
BCHE P06276 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8031345 0.99 DAO (0.41) DAOKIF11KDM1ACNR2KMT2A
SCHEMBL8747944 0.96 DAO (0.40) DAOKIF11KDM1ACNR2HCRTR1
SCHEMBL8748227 0.95 CYP3A4 (0.39) DAOKIF11KDM1ACNR2HCRTR1
SCHEMBL8747977 0.95 CYP3A4 (0.39) DAOKIF11KDM1ACNR2HCRTR1
SCHEMBL8029837 0.95 DAO (0.40) DAOKIF11KDM1ACNR2HCRTR1
SCHEMBL8028367 0.93 CYP3A4 (0.40) DAOKIF11KDM1ACNR2HCRTR1
SCHEMBL8028344 0.93 CYP3A4 (0.40) DAOKIF11KDM1ACNR2HCRTR1
SCHEMBL8028338 0.93 CYP3A4 (0.40) DAOKIF11KDM1ACNR2HCRTR1
SCHEMBL8030794 0.92 DAO (0.40) DAOKIF11KDM1ACNR2KMT2A
SCHEMBL8748214 0.92 DAO (0.42) DAOKIF11KDM1AHCRTR1HCRTR2

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