SCHEMBL8747864

SCHEMBL8747864

CCCC1CCC(c2ccc(CCc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34
RORC P51449 3/20 0.31
PANK3 Q9H999 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
SCHEMBL8747943 0.94 FFAR4 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8747903 0.93 SPHK1 (0.33) CYP2C9MAPTFFAR4RORC
SCHEMBL8747923 0.92 SPHK1 (0.35) MAPTFFAR4
SCHEMBL8748023 0.92 SPHK1 (0.35) MAPTFFAR4
SCHEMBL8049212 0.88 CHRM2 (0.31) FFAR4
SCHEMBL8748005 0.88 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8031354 0.87 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8044790 0.87 CHRM2 (0.31) FFAR4
SCHEMBL8747872 0.85 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8453730 0.83 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1

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