SCHEMBL8958688

SCHEMBL8958688

CCCOc1ccc(-c2ccc(-c3ccc(C4CCC(C5CCC(CCC)CC5)CC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.35
CYP2C9 P11712 3/20 0.34
CYP3A4 P08684 2/20 0.34
FASN P49327 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4A P27815 2/20 0.32
KDM1A O60341 2/20 0.32
APP P05067 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL8932870 0.97 FPR2 (0.37) FPR2CYP2C9CYP3A4FASNALDH1A1
SCHEMBL8958633 0.95 PPARD (0.34) FPR2CYP2C9CYP3A4FASNALDH1A1
SCHEMBL8958787 0.94 PPARD (0.34) FPR2CYP2C9CYP3A4FASNALDH1A1
SCHEMBL8932686 0.94 KDM1A (0.38) FPR2CYP2C9CYP3A4FASNALDH1A1
SCHEMBL8958769 0.93 RARB (0.34) FPR2CYP2C9CYP3A4FASNALDH1A1
SCHEMBL8959039 0.93 FPR2 (0.34) FPR2CYP2C9CYP3A4FASNMAPT
SCHEMBL8958690 0.93 RARB (0.34) FPR2CYP2C9CYP3A4FASNALDH1A1
SCHEMBL8958789 0.93 RARB (0.34) FPR2CYP2C9CYP3A4FASNALDH1A1
SCHEMBL8959033 0.93 RARB (0.34) FPR2CYP2C9CYP3A4FASNALDH1A1
SCHEMBL8959165 0.92 FPR2 (0.34) FPR2CYP2C9CYP3A4FASNMAPT

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
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed