SCHEMBL6666051

SCHEMBL6666051

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
KDM1A O60341 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
KCNH2 Q12809 1/20 0.32
KIF11 P52732 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
SCHEMBL6662024 0.88 FFAR4 (0.30) RXRAGRIN1GRIN2BFFAR4
SCHEMBL6661668 0.88 KDM1A (0.35) RXRAGRIN1GRIN2BKDM1AFFAR4
SCHEMBL6665073 0.87 HDAC2 (0.34)
SCHEMBL6662874 0.86 P2RX7 (0.34)
SCHEMBL6661270 0.85 FFAR4 (0.32) RXRAGRIN1GRIN2BKDM1AFFAR4
SCHEMBL6667528 0.85 RORC (0.33) KDM1AFFAR4
SCHEMBL6667941 0.84 FFAR4 (0.31) FFAR4
SCHEMBL6664896 0.84
SCHEMBL6664370 0.84 HTR2C (0.39)
SCHEMBL6663940 0.84 HDAC2 (0.31)

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