SCHEMBL8561730

SCHEMBL8561730

CCC(C)CCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
EPHX2 P34913 5/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LIPE Q05469 3/20 0.35
CYP2C9 P11712 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE2A O00408 2/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.33
CACNA1B Q00975 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
SCHEMBL8559819 0.95 KDM1A (0.40) KDM1ARCOR1EPHX2MEN1KMT2A
SCHEMBL8045439 0.93 L3MBTL1 (0.40) KDM1ARCOR1EPHX2MEN1KMT2A
SCHEMBL8569322 0.91 EPHX2 (0.38) KDM1ARCOR1EPHX2ALDH1A1TSHR
SCHEMBL8562619 0.85 EPHX2 (0.39) EPHX2LIPEALDH1A1TSHR
SCHEMBL4795550 0.84 CYP2C9 (0.49) KDM1ARCOR1EPHX2MEN1KMT2A
SCHEMBL3437337 0.84 CYP2C9 (0.49) KDM1ARCOR1EPHX2MEN1KMT2A
SCHEMBL4795540 0.84 CYP2C9 (0.49) KDM1ARCOR1EPHX2MEN1KMT2A
SCHEMBL8051965 0.84 LIPE (0.38) KDM1ARCOR1EPHX2MEN1KMT2A
SCHEMBL8561123 0.84 HTR2C (0.43) KDM1ARCOR1MEN1KMT2ALIPE
SCHEMBL3437339 0.83 KDM1A (0.45) KDM1ARCOR1EPHX2MEN1KMT2A

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 2 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
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed