SCHEMBL6667528

SCHEMBL6667528

CC=CC1CCC(c2ccc(COC(F)(F)Cc3ccc(C#N)c(F)c3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
KDM1A O60341 8/20 0.33
CACNA1H O95180 1/20 0.32
ENPP2 Q13822 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
PDE2A O00408 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
SCHEMBL6664896 0.89
SCHEMBL6665749 0.88 RORC (0.34) RORCKDM1ACACNA1HENPP2FFAR4
SCHEMBL6661331 0.86 AOC3 (0.34) RORCKDM1ACACNA1HFFAR4
SCHEMBL6666051 0.85 RXRA (0.33) KDM1AFFAR4
SCHEMBL6661210 0.85 CYP2C9 (0.38) RORCKDM1ACACNA1HENPP2FFAR4
SCHEMBL6665206 0.85 HSD11B1 (0.35) FFAR4
SCHEMBL6665073 0.84 HDAC2 (0.34)
SCHEMBL6662024 0.84 FFAR4 (0.30) FFAR4
SCHEMBL6662874 0.83 P2RX7 (0.34) PDE2A
SCHEMBL6663033 0.83 RORC (0.36) RORCKDM1ACACNA1HTRPV4

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