SCHEMBL8048726

SCHEMBL8048726

CCC(C)CCC1CCC(C2CCC(CCc3cc(F)c(C(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 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
SCHEMBL8034250 0.89 DAO (0.33) DAOMEN1POLBRECQLKMT2A
SCHEMBL8046024 0.85 GPR84 (0.37)
SCHEMBL8049075 0.85 PDE2A (0.31)
SCHEMBL8043578 0.84 CHRM2 (0.33)
SCHEMBL8044464 0.84 DAO (0.36) DAOHCRTR1HCRTR2
SCHEMBL8095395 0.84 DAO (0.37) DAOHCRTR1HCRTR2
SCHEMBL13002727 0.84 DAO (0.37) DAOHCRTR1HCRTR2
SCHEMBL8095388 0.84 DAO (0.37) DAOHCRTR1HCRTR2
SCHEMBL8903961 0.84 DAO (0.37) DAOHCRTR1HCRTR2
SCHEMBL8044840 0.84 AKR1C3 (0.33)

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