SCHEMBL6663307

SCHEMBL6663307

CCCc1ccc(C(F)(F)OCCc2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
DAO P14920 1/20 0.36
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
KIF11 P52732 1/20 0.34
BACE1 P56817 1/20 0.34
PSMB5 P28074 1/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CETP P11597 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32

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
SCHEMBL6662924 0.92 EDNRB (0.40) PPARGPPARADAOKMT2AHTT
SCHEMBL6660722 0.91 PPARA (0.41) PPARGPPARADAOKMT2AMEN1
SCHEMBL6661122 0.87 TAAR1 (0.37) KMT2AMEN1POLBKIF11THRB
SCHEMBL7732775 0.86 PPARG (0.40) PPARGPPARADAOKMT2AHTT
SCHEMBL7731001 0.86 PPARG (0.40) PPARGPPARADAOKMT2AHTT
SCHEMBL7729751 0.84 DAO (0.40) PPARGPPARADAOKMT2AHTT
SCHEMBL6664030 0.83 KMT2A (0.30) KMT2A
SCHEMBL6666700 0.83 TSHR (0.41) PPARGPPARADAOLMNAKIF11
SCHEMBL6665144 0.83 ALDH1A1 (0.40) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL6661998 0.82 CACNA1H (0.36) PPARGPPARA

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-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed