SCHEMBL7858893

SCHEMBL7858893

O=C1CCC(c2cccc(OCF)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.44
HTR2C P28335 2/20 0.41
ESR2 Q92731 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
DRD2 P14416 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
PPARD Q03181 2/20 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
SCHEMBL2571866 0.84 SPHK1 (0.46) PPARGHTR2CDRD2DRD3PRMT5
SCHEMBL2912686 0.80 HTR2C (0.64) HTR2CDRD2PDE4APDE4BPDE4C
SCHEMBL14830660 0.79 MGLL (0.44) HTR2CESR2
SCHEMBL4359622 0.75 CYP3A4 (0.49) PPARGHTR2CESR2PDE4APDE4B
SCHEMBL730107 0.74 ESR2 (0.47) HTR2CESR2PDE4APDE4BPDE4C
SCHEMBL25049286 0.74 PDE4A (0.43) PPARGHTR2CESR2PDE4APDE4B
SCHEMBL7005161 0.73 PPARG (0.50) PPARGHRH3PDE4APDE4BPDE4C
SCHEMBL24461308 0.73 GRIN1 (0.50)
SCHEMBL15492773 0.73 PPARG (0.50) PPARGHRH3PDE4APDE4BPDE4C
SCHEMBL7057736 0.71 ADRA1A (0.56) HTR2CDRD2PDE4APDE4BPDE4C

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-0881221-B1 DIOXANE DERIVATIVES, LIQUID-CRYSTAL COMPOSITIONS CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY DEVICES MADE BY USING THE SAME JNC CORP (JP) 2016-06-29 EP disclosed
US-6235355-B1 OPTICAL APPARATUS WITH LIQUID CRYSTALS CHISSO CORPORATION (JP) 2001-05-22 US disclosed
EP-0881221-A1 DIOXANE DERIVATIVES, LIQUID-CRYSTAL COMPOSITIONS CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY DEVICES MADE BY USING THE SAME CHISSO CORPORATION (JP) 1998-12-02 EP disclosed