SCHEMBL12836556

SCHEMBL12836556

CC(O)c1ccc(C2CCC(C(=O)Oc3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 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
SCHEMBL12836561 0.90 HPGD (0.33) MEN1RAB9AKMT2AL3MBTL1HPGD
SCHEMBL12223943 0.89 PIM1 (0.36) PIM1
SCHEMBL12836568 0.89 PIM1 (0.32) PIM1
SCHEMBL11939333 0.88 HPGD (0.39) MEN1RAB9AKMT2AL3MBTL1HPGD
SCHEMBL11939267 0.88 HPGD (0.39) MEN1RAB9AKMT2AL3MBTL1HPGD
SCHEMBL12836562 0.88 HPGD (0.32) MEN1RAB9AKMT2AL3MBTL1HPGD
SCHEMBL12223334 0.87 HPGD (0.31) HPGD
SCHEMBL12836555 0.87 PIM1 (0.34) PIM1MEN1KMT2AL3MBTL1
SCHEMBL12836553 0.87 HPGD (0.36) MEN1RAB9AKMT2AL3MBTL1HPGD
SCHEMBL12821250 0.87 ALOX5AP (0.31) —

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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