SCHEMBL12242529

SCHEMBL12242529

C=CC(=O)Cc1ccc(C#Cc2ccc(CCC(=O)Oc3ccc(COC(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.42
KMT2A Q03164 2/20 0.37
ACACB O00763 1/20 0.36
FFAR1 O14842 10/20 0.36
FFAR4 Q5NUL3 2/20 0.36
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL12375025 0.90 THRB (0.45) THRBKMT2AFFAR1FFAR4HPGD
SCHEMBL12242484 0.86 FFAR1 (0.41) THRBKMT2AACACBFFAR1FFAR4
SCHEMBL12242527 0.86 FFAR1 (0.41) THRBKMT2AACACBFFAR1FFAR4
SCHEMBL12242513 0.84 THRB (0.39) THRBKMT2AACACBMAPT
SCHEMBL12242560 0.84 THRB (0.39) THRBKMT2AACACBMAPT
SCHEMBL12242528 0.83 CA12 (0.43) THRBKMT2AACACBFFAR1MAPT
SCHEMBL12242530 0.83 CA12 (0.43) THRBKMT2AACACBFFAR1MAPT
SCHEMBL12242502 0.82 FFAR1 (0.39) THRBACACBFFAR1FFAR4
SCHEMBL12242523 0.82 THRB (0.41) THRBKMT2AACACBFFAR1FFAR4
SCHEMBL12242556 0.81 FFAR1 (0.38) THRBFFAR1FFAR4

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-8460576-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-06-11 US disclosed
US-20110253936-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-10-20 US disclosed