SCHEMBL12994309

SCHEMBL12994309

CCCC(O)c1ccc(/C=C/c2ccc(-c3ccc(C4CO4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ KCNA3 P22001 1/20 0.31
▸ NFE2L2 Q16236 2/20 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
SCHEMBL12822354 0.92 — —
SCHEMBL12823711 0.92 — —
SCHEMBL12719057 0.88 KCNA3 (0.31) KCNA3NFE2L2
SCHEMBL13586299 0.87 — —
SCHEMBL12719051 0.87 KCNA3 (0.32) PDE4APDE4BPDE4CPDE4DKCNA3
SCHEMBL10302939 0.83 PTGS1 (0.35) KCNA3NFE2L2
SCHEMBL13586534 0.83 APP (0.32) —
SCHEMBL12907234 0.82 NFE2L2 (0.33) KCNA3NFE2L2
SCHEMBL12906983 0.81 NFE2L2 (0.38) NFE2L2
SCHEMBL10302927 0.81 TUBB1 (0.35) PDE4APDE4BPDE4CPDE4DKCNA3

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-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 — — EP disclosed
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