SCHEMBL6663191

SCHEMBL6663191

C=C[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 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.37
HCRTR1 O43613 6/20 0.35
HCRTR2 O43614 6/20 0.35
EPHX2 P34913 3/20 0.32
ENPP2 Q13822 1/20 0.32
ATXN2 Q99700 1/20 0.32
PDE2A O00408 1/20 0.32
CTSK P43235 1/20 0.31
NAAA Q02083 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 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
SCHEMBL6667318 0.90 P2RX7 (0.36) P2RX7HCRTR1HCRTR2EPHX2ENPP2
SCHEMBL6662238 0.87 HTR6 (0.32)
SCHEMBL6662226 0.87 HTR6 (0.32)
SCHEMBL6662571 0.87 P2RX7 (0.36) P2RX7HCRTR1HCRTR2EPHX2ENPP2
SCHEMBL6662579 0.87 P2RX7 (0.36) P2RX7HCRTR1HCRTR2EPHX2ENPP2
SCHEMBL6667616 0.87 PPARG (0.30) PPARGPPARDPPARA
SCHEMBL6665415 0.85
SCHEMBL6665286 0.82
SCHEMBL6665290 0.82
SCHEMBL6667093 0.82 P2RX7 (0.35) P2RX7HCRTR1HCRTR2EPHX2ENPP2

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