SCHEMBL12836561

SCHEMBL12836561

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ CETP P11597 1/20 0.30
▸ KCNJ1 P48048 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
SCHEMBL12223334 0.97 HPGD (0.31) HPGD
SCHEMBL12836562 0.93 HPGD (0.32) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL11939364 0.91 HPGD (0.38) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL11939171 0.91 HPGD (0.38) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12836556 0.90 PIM1 (0.35) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12224034 0.88 — —
SCHEMBL12222988 0.86 HPGD (0.40) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12836672 0.85 CCNT1 (0.30) —
SCHEMBL12836553 0.85 HPGD (0.36) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL12836565 0.83 CTSL (0.36) HPGDMEN1RAB9AKMT2AL3MBTL1

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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