SCHEMBL6661306

SCHEMBL6661306

C=CCCC1CCC(c2ccc(COC(F)(F)Cc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.33
RORC P51449 1/20 0.33
KDM1A O60341 2/20 0.32
AR P10275 1/20 0.30
CACNA1H O95180 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
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
SCHEMBL6664149 0.89 AOC3 (0.31) AOC3ESR2
SCHEMBL6665749 0.89 RORC (0.34) AOC3RORCKDM1ACACNA1HFFAR4
SCHEMBL6661331 0.89 AOC3 (0.34) AOC3RORCKDM1ACACNA1HFFAR4
SCHEMBL6661210 0.88 CYP2C9 (0.38) AOC3RORCKDM1AARCACNA1H
SCHEMBL6666333 0.86 ESR2 (0.33) FFAR4ESR2
SCHEMBL6665871 0.85 ESR2 (0.39) ESR2
SCHEMBL6667105 0.85 SPHK1 (0.34) AOC3RORCKDM1A
SCHEMBL6666993 0.85 KDM1A (0.33) KDM1AFFAR4ESR2
SCHEMBL6664198 0.85 ESR2 (0.33) FFAR4ESR2
SCHEMBL6663931 0.85 RORC (0.37) AOC3RORCKDM1AAR

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