SCHEMBL19224830

SCHEMBL19224830

C=CC(=O)Cc1cc(OCCOc2ccc(-c3ccc(OC(=O)C=C)cc3F)cc2)cc(OC(=O)C=C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.36
FFAR4 Q5NUL3 6/20 0.35
FFAR1 O14842 4/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
CA4 P22748 4/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
PTGS2 P35354 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
SCHEMBL17719434 0.91 THRB (0.43) THRBFFAR4FFAR1RARARARB
SCHEMBL17754285 0.84 PRKAB2 (0.42) THRBFFAR4FFAR1S1PR1S1PR3
SCHEMBL20672254 0.80 THRB (0.38) THRBFFAR4FFAR1S1PR1S1PR3
SCHEMBL17754269 0.79 THRB (0.39) THRBFFAR4FFAR1RARARARB
SCHEMBL9607903 0.79 THRB (0.44) THRBCA1CA2PTGS2APP
SCHEMBL15906277 0.78 THRB (0.47) THRBFFAR4FFAR1RARBS1PR1
SCHEMBL9607850 0.77 THRB (0.43) THRBPTGS2APPCYP2C19
SCHEMBL20998248 0.77 MAOB (0.42) THRBFFAR4CA12CA1CA2
SCHEMBL21558862 0.77 THRB (0.48) THRBFFAR4RARBS1PR1S1PR3
SCHEMBL21846528 0.74 THRB (0.42) THRBFFAR4FFAR1RARBS1PR1

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-20170226419-A1 POLYMERIZABLE-MONOMER-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-08-10 US disclosed
US-20170226419-A1 POLYMERIZABLE-MONOMER-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-08-10 US disclosed