SCHEMBL4825249

SCHEMBL4825249

CCCCCCCCC(O)c1cccc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRB3 P13945 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CSNK1E P49674 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.37
PPARA Q07869 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SOAT1 P35610 1/20 0.37

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
SCHEMBL4290441 1.00 PPARG (0.42) PPARGCES2CES1ADRB1ADRA2A
SCHEMBL7523840 1.00 PPARG (0.42) PPARGCES2CES1ADRB1ADRA2A
SCHEMBL8746416 1.00 PPARG (0.42) PPARGCES2CES1ADRB1ADRA2A
SCHEMBL8746393 0.98 CES2 (0.42) PPARGCES2CES1ADRB1ADRA2A
SCHEMBL7786189 0.93 CES2 (0.44) PPARGCES2CES1ADRB1ADRA2A
SCHEMBL7526784 0.93 PPARG (0.38) PPARGCES2CES1ADRB1ADRA2A
SCHEMBL10091381 0.88 CES2 (0.45) CES2CES1ADRB1ADRA2AADRB3
SCHEMBL26326732 0.86 PPARG (0.47) PPARGCES2CES1CSNK1ESPHK1
SCHEMBL4910363 0.84 PPARG (0.45) PPARGCES2CES1CSNK1ESPHK1
SCHEMBL30557985 0.84 PPARG (0.45) PPARGCES2CES1CSNK1ESPHK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462427-B2 Liquid crystal compounds with branched or cyclic end groups QINETIQ LIMITED (GB) 2008-12-09 US disclosed
US-20040206933-A1 Liquid crystal compounds with branched or cyclic end groups QINETIQ LIMITED (GB) 2004-10-21 US disclosed
EP-1144546-A3 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2002-08-28 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 WO disclosed
US-5683623-A FERROELECTRIC LIQUID CRYSTALS CELLS AND DEVICES FOR ELECTROOPTICAL APPARATUS CENTRAL RESEARCH LABORATORIES LIMITED (GB) 1997-11-04 US disclosed
EP-0662114-B1 DIOXANE DERIVATIVES CENTRAL RESEARCH LAB LTD (GB) 1997-02-19 EP disclosed
EP-0662114-A1 DIOXANE DERIVATIVES. CENTRAL RESEARCH LAB LTD (GB) 1995-07-12 EP disclosed
WO-1994006885-A1 DIOXANE DERIVATIVES CENTRAL RESEARCH LABORATORIES LIMITED (GB) 1994-03-31 WO disclosed