SCHEMBL10066568

SCHEMBL10066568

CCCCOc1ccc(CCC2CCC3CC(c4ccc(C5CCC(CCC)CC5)cc4)CCC3C2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
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
RAB9A P51151 1/20 0.35
SPHK1 Q9NYA1 2/20 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
SCHEMBL9924912 0.88 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10065874 0.88 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL22277733 0.86 CNR2 (0.34) CYP2C9
SCHEMBL20346142 0.86 CNR2 (0.34) CYP2C9
SCHEMBL9924915 0.86 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9925064 0.86 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL22277740 0.86 SPHK1 (0.38) SPHK1
SCHEMBL22277304 0.86 SPHK1 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20346124 0.85 CNR2 (0.35) CYP2C9
SCHEMBL22277533 0.85 SPHK1 (0.45) SPHK1

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-2468707-A1 DECAHYDRONAPHTHALENE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY ELEMENTS CONTAINING THE LIQUID CRYSTAL COMPOSITIONS JNC Corporation (JP) 2012-06-27 EP disclosed