SCHEMBL8932870

SCHEMBL8932870

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.37
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
FASN P49327 1/20 0.35
KDM1A O60341 2/20 0.34
PDE4A P27815 2/20 0.34
APP P05067 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL8958688 0.97 FPR2 (0.35) FPR2CYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8932865 0.95 CYP2C9 (0.36) FPR2CYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8932867 0.94 PPARD (0.35) FPR2CYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8932591 0.94 KDM1A (0.40) FPR2CYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8933109 0.93 RARB (0.35) FPR2CYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8932875 0.93 RARB (0.35) FPR2CYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8933115 0.93 RARB (0.35) FPR2CYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8932873 0.93 RARB (0.35) FPR2CYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL8933326 0.93 FPR2 (0.35) FPR2CYP2C9CYP3A4MAPTFASN
SCHEMBL13967457 0.92 CYP2C9 (0.42) FPR2CYP2C9CYP3A4ALDH1A1LMNA

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