SCHEMBL12375038

SCHEMBL12375038

C=CC(=O)COc1ccc(CCC(=O)Oc2ccc(OCOC(=O)C=C)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.36
PPARD Q03181 4/20 0.36
PPARA Q07869 4/20 0.36
FFAR1 O14842 4/20 0.36
PPARG P37231 3/20 0.36
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.32
AKR1C3 P42330 5/20 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
SCHEMBL15582416 0.90 THRB (0.38) THRBPPARDPPARAFFAR1PPARG
SCHEMBL12375020 0.83 THRB (0.43) THRBFFAR1KMT2AMAPT
SCHEMBL12242523 0.82 THRB (0.41) THRBFFAR1KMT2A
SCHEMBL12154226 0.82 THRB (0.52) THRBFFAR1KMT2AMAPT
SCHEMBL12375052 0.80 THRB (0.40) THRBFFAR1KMT2AMAPTAKR1C3
SCHEMBL17754254 0.80 AKR1C3 (0.35) THRBPPARDFFAR1AKR1C3
SCHEMBL12733719 0.79 THRB (0.40) THRBKMT2AMAPTAKR1C3
SCHEMBL13664644 0.79 AKR1C3 (0.35) AKR1C3
SCHEMBL17754264 0.79 FFAR1 (0.34) THRBFFAR1KMT2AMAPTAKR1C3
SCHEMBL15582417 0.79 THRB (0.49) THRBFFAR1KMT2AMAPT

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