SCHEMBL6664149

SCHEMBL6664149

C=CCCC1CCC(c2ccc(COC(F)(F)Cc3cc(F)c(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.31
ESR2 Q92731 1/20 0.30

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
SCHEMBL6661306 0.89 AOC3 (0.33) AOC3ESR2
SCHEMBL6662864 0.89
SCHEMBL6667731 0.89 AOC3 (0.31) AOC3
SCHEMBL6664198 0.88 ESR2 (0.33) ESR2
SCHEMBL6666946 0.87 CYP2C9 (0.38) AOC3ESR2
SCHEMBL6666333 0.87 ESR2 (0.33) ESR2
SCHEMBL6665871 0.86 ESR2 (0.39) ESR2
SCHEMBL6664352 0.85 ESR2 (0.31) ESR2
SCHEMBL6663177 0.84 SPHK1 (0.34) AOC3
SCHEMBL6666993 0.84 KDM1A (0.33) ESR2

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