SCHEMBL6663931

SCHEMBL6663931

C=CCC[C@H]1CC[C@H](CC(F)(F)OCc2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.37
AR P10275 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
DAO P14920 1/20 0.31
KDM1A O60341 2/20 0.30
AOC3 Q16853 1/20 0.30
S1PR1 P21453 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
SCHEMBL6661914 0.90 RORC (0.37) RORCARTRPV4DAOKDM1A
SCHEMBL6666737 0.88
SCHEMBL6661612 0.88 RORC (0.36) RORCARTRPV4KDM1AAOC3
SCHEMBL6661625 0.88 RORC (0.36) RORCARTRPV4KDM1AAOC3
SCHEMBL6664174 0.87 GRM2 (0.32)
SCHEMBL6664181 0.87 GRM2 (0.32)
SCHEMBL6661306 0.85 AOC3 (0.33) RORCARKDM1AAOC3
SCHEMBL6663487 0.84 KIF11 (0.33) DAOKDM1A
SCHEMBL6665861 0.83 MAOB (0.34)
SCHEMBL6665855 0.83 MAOB (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