SCHEMBL6661331

SCHEMBL6661331

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.34
RORC P51449 1/20 0.32
KDM1A O60341 4/20 0.32
CACNA1H O95180 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL6667731 0.90 AOC3 (0.31) AOC3
SCHEMBL6661306 0.89 AOC3 (0.33) AOC3RORCKDM1ACACNA1HFFAR4
SCHEMBL6661210 0.88 CYP2C9 (0.38) AOC3RORCKDM1ACACNA1HFFAR4
SCHEMBL6666651 0.86 HSD11B1 (0.34) AOC3FFAR4
SCHEMBL6666599 0.86 ESR2 (0.38)
SCHEMBL6667528 0.86 RORC (0.33) RORCKDM1ACACNA1HFFAR4
SCHEMBL6667105 0.86 SPHK1 (0.34) AOC3RORCKDM1A
SCHEMBL6661270 0.86 FFAR4 (0.32) KDM1AFFAR4
SCHEMBL6661612 0.85 RORC (0.36) AOC3RORCKDM1A
SCHEMBL6661625 0.85 RORC (0.36) AOC3RORCKDM1A

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