SCHEMBL6661914

SCHEMBL6661914

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

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.37
AR P10275 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
KDM1A O60341 5/20 0.32
DAO P14920 2/20 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
SCHEMBL6663931 0.90 RORC (0.37) RORCARTRPV4KDM1ADAO
SCHEMBL6665212 0.88
SCHEMBL6663039 0.87 RORC (0.36) RORCARTRPV4KDM1ADAO
SCHEMBL6663033 0.87 RORC (0.36) RORCARTRPV4KDM1ADAO
SCHEMBL6662226 0.86 HTR6 (0.32)
SCHEMBL6662238 0.86 HTR6 (0.32)
SCHEMBL6665331 0.83 GAA (0.33)
SCHEMBL6665337 0.83 GAA (0.33)
SCHEMBL6661612 0.82 RORC (0.36) RORCARTRPV4KDM1A
SCHEMBL6665749 0.82 RORC (0.34) RORCTRPV4KDM1A

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