SCHEMBL12836555

SCHEMBL12836555

CC(O)c1ccc(C2CCC(C(=O)Oc3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ PTGS2 P35354 2/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ FAAH O00519 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL12836558 0.89 ACHE (0.30) L3MBTL1
SCHEMBL12836556 0.87 PIM1 (0.35) PIM1L3MBTL1KMT2AMEN1
SCHEMBL11939270 0.87 HPGD (0.35) L3MBTL1FFAR4PTGS2GLAPTGS1
SCHEMBL12836568 0.84 PIM1 (0.32) PIM1
SCHEMBL12223943 0.84 PIM1 (0.36) PIM1
SCHEMBL12719648 0.83 APP (0.35) L3MBTL1PTGS2KMT2AKDM4EALDH1A1
SCHEMBL11939933 0.83 FFAR1 (0.40) FFAR4
SCHEMBL11943435 0.82 PIM1 (0.34) PIM1
SCHEMBL12836509 0.81 PTGS1 (0.32) PTGS2PTGS1
SCHEMBL12719676 0.79 HTT (0.43) L3MBTL1KMT2AKDM4EALDH1A1MAPT

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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