SCHEMBL12375051

SCHEMBL12375051

C=CC(=O)OCc1ccc(OC(=O)CCc2ccc3cc(-c4ccc(CC(=O)C(=C)C)cc4)ccc3c2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.35
PPARA Q07869 3/20 0.35
FFAR4 Q5NUL3 4/20 0.35
FFAR1 O14842 3/20 0.33
EGFR P00533 1/20 0.33
THRB P10828 1/20 0.33
AKR1C3 P42330 4/20 0.33
AKR1C2 P52895 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
RAB9A P51151 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12375053 0.84 THRB (0.43) FFAR4FFAR1THRBLMNAKDM4E
SCHEMBL12375033 0.84 L3MBTL1 (0.38) FFAR4FFAR1THRBAKR1C3AKR1C2
SCHEMBL12375057 0.81 THRB (0.44) FFAR1THRBLMNAMAPTHTT
SCHEMBL12375023 0.81 THRB (0.44) FFAR1THRBLMNAMAPTHTT
SCHEMBL17461514 0.79 THRB (0.40) THRBAKR1C3AKR1C2NPC1MAPT
SCHEMBL18541175 0.79 ALOX15 (0.37) THRBAKR1C3AKR1C2NPC1RAB9A
SCHEMBL12375046 0.79 MAPT (0.38) FFAR4FFAR1LMNAKDM4ENPC1
SCHEMBL12375035 0.78 THRB (0.47) PPARAFFAR1THRBLMNAMAPT
SCHEMBL16803383 0.78 THRB (0.39) THRBAKR1C3AKR1C2NPC1MAPT
SCHEMBL17719436 0.78 THRB (0.39) THRBAKR1C3AKR1C2NPC1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440101-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-05-14 US disclosed
US-20110186776-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-08-04 US disclosed