SCHEMBL14980965

SCHEMBL14980965

C=CC(=O)Oc1ccc(C#Cc2ccc(OC(=O)C=N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.46
ACACB O00763 4/20 0.39
FFAR1 O14842 2/20 0.38
APP P05067 1/20 0.34
HAO1 Q9UJM8 5/20 0.33
PDE6D O43924 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
TGM2 P21980 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
SCHEMBL16182694 0.91 THRB (0.53) THRBACACBFFAR1APPPDE6D
SCHEMBL12348184 0.91 THRB (0.53) THRBACACBFFAR1APPPDE6D
SCHEMBL14558156 0.84 FFAR1 (0.54) THRBACACBFFAR1APPHAO1
SCHEMBL13297284 0.83 THRB (0.50) THRBACACBFFAR1APPTGM2
SCHEMBL19851949 0.83 APP (0.50) THRBACACBFFAR1APP
SCHEMBL816437 0.83 THRB (0.46) THRBACACB
SCHEMBL16436310 0.81 THRB (0.42) THRBACACBFFAR1PDE6D
SCHEMBL26862337 0.81 THRB (0.51) THRBACACBFFAR1APPHAO1
SCHEMBL17370463 0.80 THRB (0.44) THRBACACBFFAR1APPHAO1
SCHEMBL17370250 0.80 THRB (0.44) THRBACACBFFAR1APPHAO1

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
EP-2119701-B1 POLYMERIZABLE OPTICALLY-ACTIVE COMPOUND, AND POLYMERIZABLE COMPOSITION COMPRISING THE POLYMERIZABLE OPTICALLY-ACTIVE COMPOUND ADEKA CORP (JP) 2013-05-29 EP disclosed