SCHEMBL8046030

SCHEMBL8046030

CCC(C)CCC1CCC(CCc2cc(F)c(-c3ccc(OC(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.37
KCNH2 Q12809 1/20 0.36
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
PDE2A O00408 2/20 0.34
CTSK P43235 1/20 0.33
NAAA Q02083 1/20 0.33
CHRM2 P08172 3/20 0.33
CHRM5 P08912 2/20 0.33
GRM2 Q14416 2/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SYK P43405 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
SCHEMBL8034592 0.90 EPHX2 (0.38) EPHX2KCNH2HCRTR1HCRTR2PDE2A
SCHEMBL8052175 0.88 EPHX2 (0.39) EPHX2PDE2ACTSKNAAAGRM2
SCHEMBL8045198 0.88 JAK2 (0.36) EPHX2PDE2ACHRM2CHRM5GRM2
SCHEMBL8033992 0.87 KCNH2 (0.38) EPHX2KCNH2HCRTR1HCRTR2PDE2A
SCHEMBL8046057 0.86 CHRM2 (0.31) CHRM2CHRM5CHRM1CHRM3
SCHEMBL8034772 0.86 KCNH2 (0.41) EPHX2KCNH2HCRTR1HCRTR2PDE2A
SCHEMBL8046071 0.84 KIF11 (0.37) EPHX2
SCHEMBL8034747 0.82 MAOB (0.36) KCNH2PDE2A
SCHEMBL8431668 0.82 CTSK (0.36) EPHX2HCRTR1HCRTR2CTSKNAAA
SCHEMBL8045228 0.81 EPHX2 (0.38) EPHX2KCNH2PDE2ACTSKNAAA

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