SCHEMBL6667093

SCHEMBL6667093

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.35
HCRTR1 O43613 6/20 0.35
HCRTR2 O43614 6/20 0.35
EPHX2 P34913 2/20 0.33
ENPP2 Q13822 1/20 0.33
ATXN2 Q99700 1/20 0.33
CHRM2 P08172 1/20 0.33
PDE2A O00408 1/20 0.32
KCNH2 Q12809 1/20 0.31
CHRM4 P08173 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
SCHEMBL6667085 1.00 P2RX7 (0.35) P2RX7HCRTR1HCRTR2EPHX2ENPP2
SCHEMBL6663961 0.88 CACNA1H (0.31)
SCHEMBL6663956 0.88 CACNA1H (0.31)
SCHEMBL6667318 0.87 P2RX7 (0.36) P2RX7HCRTR1HCRTR2EPHX2ENPP2
SCHEMBL6662579 0.86 P2RX7 (0.36) P2RX7HCRTR1HCRTR2EPHX2ENPP2
SCHEMBL6662571 0.86 P2RX7 (0.36) P2RX7HCRTR1HCRTR2EPHX2ENPP2
SCHEMBL6663954 0.86
SCHEMBL6663946 0.86
SCHEMBL6666424 0.85 P2RX7 (0.33) P2RX7HCRTR1HCRTR2EPHX2CHRM2
SCHEMBL6665088 0.85 FFAR1 (0.32)

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