SCHEMBL8043808

SCHEMBL8043808

CC(C)CCCC1CCC(CCc2ccc(-c3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.35
KCNH2 Q12809 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
KDM1A O60341 3/20 0.31
FFAR4 Q5NUL3 2/20 0.31
LNPEP Q9UIQ6 1/20 0.31
FFAR1 O14842 1/20 0.30
ESR1 P03372 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
SCHEMBL8034372 0.88 FFAR4 (0.34) CHRM2CHRM5CHRM1CHRM3FFAR4
SCHEMBL8048334 0.88 KCNH2 (0.40) GRM2KCNH2CHRM2CHRM5FFAR4
SCHEMBL8034576 0.88 GRM2 (0.46) GRM2FFAR4
SCHEMBL8052346 0.86 GRM2 (0.32) GRM2LNPEP
SCHEMBL8045381 0.86 CHRM2 (0.32) CHRM2CHRM5CHRM1CHRM3
SCHEMBL8044832 0.85 APP (0.33) GRM2CHRM2CHRM5CHRM1CHRM3
SCHEMBL8043897 0.85 CHRM2 (0.33) KCNH2CHRM2CHRM5CHRM1CHRM3
SCHEMBL8043272 0.82 KIF11 (0.39)
SCHEMBL8043786 0.82 AKR1C3 (0.42) GRM2KCNH2
SCHEMBL8034698 0.80 FFAR4 (0.34) KCNH2CHRM2CHRM5CHRM1CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
US-5714088-A TRIFLUOROMETHYL- OR -METHOXYPHENYL-SUBSTITUTED BRANCHED ALKYL-SUBSTITUTED CYCLOHEXANES; LARGE POSITIVE VALUE OF DIELECTRIC ANISOTROPY; VERY LOW VISCOSITY; HIGH VOLTAGE HOLDING RATIO(SPECIFIC RESISTANCE); UV STABILITY CHISSO CORPORATION (JP) 1998-02-03 US disclosed
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed