SCHEMBL8562055

SCHEMBL8562055

CC(C)CCCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.44
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ESR2 Q92731 1/20 0.37
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CYP2C9 P11712 1/20 0.35
LIPE Q05469 1/20 0.35

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
SCHEMBL8561712 0.94 HTR2C (0.46) HTR2CSLC6A2SLC6A4ESR2PSEN1
SCHEMBL8560987 0.92 HTR2C (0.44) HTR2CSLC6A2SLC6A4ESR2PSEN1
SCHEMBL8565160 0.90 SLC6A2 (0.43) HTR2CSLC6A2SLC6A4ESR2PSEN1
SCHEMBL13165257 0.85 HTR2C (0.47) HTR2CESR2ALDH1A1LMNAMAPT
SCHEMBL8557429 0.84 MAOB (0.46) SLC6A2SLC6A4ALDH1A1
SCHEMBL9225330 0.83 HTR2C (0.46) HTR2CESR2ALDH1A1LMNAMAPT
SCHEMBL9225322 0.83 HTR2C (0.46) HTR2CESR2ALDH1A1LMNAMAPT
SCHEMBL9225336 0.83 HTR2C (0.46) HTR2CESR2ALDH1A1LMNAMAPT
SCHEMBL8051965 0.83 LIPE (0.38) ESR2CYP2C9LIPE
SCHEMBL8561123 0.83 HTR2C (0.43) HTR2CESR2ALDH1A1LMNAMAPT

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
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
CN-1140194-A Liquid crystalline compound having branched alkyl group at its side chain and liquid crystal composition containing the same CHISSO CORP (JP) 1997-01-15 CN disclosed
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed