SCHEMBL8044840

SCHEMBL8044840

CCC(C)CCC1CCC(CCc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
GRM2 Q14416 1/20 0.32
GPR84 Q9NQS5 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
SCHEMBL8046024 0.89 GPR84 (0.37) GRM2GPR84
SCHEMBL8049037 0.87 KIF11 (0.38) AKR1C3AKR1C2
SCHEMBL8034341 0.87 AKR1C3 (0.41) AKR1C3AKR1C2GRM2
SCHEMBL8052346 0.86 GRM2 (0.32) GRM2GPR84
SCHEMBL8034250 0.85 DAO (0.33)
SCHEMBL8052370 0.85 FASN (0.35) AKR1C3AKR1C2GRM2
SCHEMBL13002931 0.84 GPR84 (0.34) GRM2GPR84
SCHEMBL8048726 0.84 DAO (0.33)
SCHEMBL13002932 0.82 GPR84 (0.33) GPR84
SCHEMBL8052420 0.79 SPHK1 (0.34)

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