SCHEMBL7732166

SCHEMBL7732166

CCc1cc(F)c(C(F)(F)Oc2ccc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
TSHR P16473 1/20 0.34
PDE2A O00408 1/20 0.34
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
KIF11 P52732 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CCR6 P51684 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
GRIN2B Q13224 1/20 0.31
SERPINE1 P05121 1/20 0.31

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
SCHEMBL7730988 0.91 PDE2A (0.33) PPARDPPARATSHRPDE2AHCRTR1
SCHEMBL7735446 0.90 PPARD (0.32) PPARDPPARATSHRPDE2AHCRTR1
SCHEMBL7729773 0.90 TSHR (0.40) PPARDPPARATSHRPDE2AHCRTR1
SCHEMBL7733408 0.88 PPARG (0.32) PPARDPPARATSHRPDE2A
SCHEMBL7730668 0.88 MAOB (0.33) TSHRPDE2A
SCHEMBL7732500 0.88 HDAC3 (0.33) PPARDPPARAHDAC3HDAC1HDAC2
SCHEMBL7722918 0.87 HDAC3 (0.33) PPARDPPARAHDAC3HDAC1HDAC2
SCHEMBL7729328 0.87 PDE2A (0.32) PDE2A
SCHEMBL7731008 0.87 TSHR (0.35) PPARDPPARATSHRPDE2AHCRTR1
SCHEMBL7730665 0.86 PRMT6 (0.38) PPARDPPARATSHRKIF11MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed