SCHEMBL6667082

SCHEMBL6667082

CCc1ccc(COC(F)(F)Cc2ccc(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.41
FFAR1 O14842 1/20 0.39
DAO P14920 1/20 0.37
FFAR4 Q5NUL3 3/20 0.37
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CYP11B2 P19099 3/20 0.33
CYP11B1 P15538 2/20 0.33
P2RX7 Q99572 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 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
SCHEMBL6667152 0.90 KIF11 (0.40) KIF11FFAR1DAOFFAR4PPARG
SCHEMBL6664138 0.86 MAOA (0.36) FFAR4RXRAGRIN1GRIN2B
SCHEMBL6666308 0.86 ESR1 (0.40) KIF11FFAR1DAO
SCHEMBL6662056 0.84 FFAR4 (0.33) DAOFFAR4
SCHEMBL6663003 0.83 MAOB (0.34) FFAR4RXRA
SCHEMBL12706035 0.81 KIF11 (0.53) KIF11FFAR1DAOCYP11B2CYP11B1
SCHEMBL6666327 0.80 PDE2A (0.38) PPARDPPARAP2RX7
SCHEMBL6665025 0.79 TRPV4 (0.41) DAOCYP11B2CYP11B1
SCHEMBL6664063 0.78 FFAR4 (0.34) FFAR4PPARDPPARA
SCHEMBL6661309 0.78 CACNA1H (0.34)

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