SCHEMBL12836534

SCHEMBL12836534

CC(O)c1ccc(COC2CCC(c3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.30
▸ NAAA Q02083 1/20 0.30
▸ HTR1A P08908 1/20 0.30

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
SCHEMBL13654161 0.92 HTR1A (0.32) NAAAHTR1A
SCHEMBL12836566 0.90 PIM1 (0.33) PIM1HTR1A
SCHEMBL12836536 0.90 PIM1 (0.33) PIM1HTR1A
SCHEMBL12836542 0.90 — —
SCHEMBL11943435 0.87 PIM1 (0.34) PIM1
SCHEMBL12223471 0.87 HTR1A (0.33) HTR1A
SCHEMBL12907902 0.86 HTR1A (0.34) NAAAHTR1A
SCHEMBL12836029 0.86 PIM1 (0.30) PIM1
SCHEMBL11942597 0.86 NAAA (0.34) NAAAHTR1A
SCHEMBL11939162 0.85 NAAA (0.37) NAAA

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
WO-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 — — WO disclosed
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