SCHEMBL18079120

SCHEMBL18079120

CCOc1ccc(OC(F)(F)c2ccc(OCCCCCCCC(=O)CCCCCCCOc3ccc(C(F)(F)Oc4ccc(OCC)c(F)c4F)cc3)cc2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC2 Q92769 4/20 0.41
▸ HDAC6 Q9UBN7 4/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PLA2G4B P0C869 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL19892009 0.94 HDAC1 (0.38) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL19887935 0.94 HDAC6 (0.39) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL18079364 0.87 CNR2 (0.33) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL18079113 0.86 HDAC1 (0.40) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL19891962 0.82 HDAC1 (0.36) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL19887898 0.82 HDAC1 (0.36) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL19887966 0.81 HDAC6 (0.38) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL19891914 0.80 HDAC1 (0.35) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL18079093 0.77 MEN1 (0.45) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL18079100 0.76 FFAR4 (0.45) HDAC1LMNAPOLB

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-2016143634-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, COMPOSITE MATERIAL CONTAINING LIQUID CRYSTAL, AND LIQUID CRYSTAL DISPLAY ELEMENT USING LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION OR COMPOSITE MATERIAL CONTAINING LIQUID CRYSTAL JNC株式会社 2016-09-15 — — WO disclosed
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