SCHEMBL8051965

SCHEMBL8051965

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 4/20 0.38
CHRM4 P08173 1/20 0.38
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 4/20 0.36
CACNA1B Q00975 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR2 Q92731 1/20 0.35
CYP2C9 P11712 1/20 0.33
ACACB O00763 2/20 0.33
PDE9A O76083 1/20 0.33
CETP P11597 1/20 0.33

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
SCHEMBL8561003 0.95 CHRM4 (0.39) LIPECHRM4KDM1ARCOR1MEN1
SCHEMBL8051859 0.93 L3MBTL1 (0.40) LIPECHRM4KDM1ARCOR1EPHX2
SCHEMBL8565199 0.90 CHRM4 (0.37) LIPECHRM4KDM1ARCOR1ACACB
SCHEMBL8044208 0.89 L3MBTL1 (0.40) LIPECHRM4KDM1ARCOR1L3MBTL1
SCHEMBL3437360 0.86 KDM1A (0.42) LIPEKDM1ARCOR1MEN1KMT2A
SCHEMBL4798875 0.86 KDM1A (0.42) LIPEKDM1ARCOR1MEN1KMT2A
SCHEMBL4798854 0.86 KDM1A (0.42) LIPEKDM1ARCOR1MEN1KMT2A
SCHEMBL8559117 0.85 DRD2 (0.39) LIPECHRM4EPHX2CACNA1B
SCHEMBL3437355 0.85 KDM1A (0.41) LIPEKDM1ARCOR1MEN1KMT2A
SCHEMBL5352855 0.85 KDM1A (0.41) LIPEKDM1ARCOR1MEN1KMT2A

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