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Sugi Predict / Compounds / SCHEMBL6667085

SCHEMBL6667085

SCHEMBL6667085

C/C=C/CC[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
SCHEMBL6667093 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