SCHEMBL13865637

SCHEMBL13865637

C=CC(=O)OCC(COc1ccc(C#Cc2ccc(C#Cc3ccc(OCC(COC(=O)C=C)OC(=O)C=C)cc3)cc2)cc1)OC(=O)C=C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.44
THRB P10828 1/20 0.42
TSHR P16473 2/20 0.39
AR P10275 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL13865583 0.89 THRB (0.52) ACACBTHRB
SCHEMBL13869325 0.89 THRB (0.44) ACACBTHRBTSHRAR
SCHEMBL14173315 0.89 THRB (0.44) ACACBTHRBTSHRAR
SCHEMBL14173294 0.89 THRB (0.44) ACACBTHRBTSHRAR
SCHEMBL13865645 0.87 THRB (0.43) ACACBTHRBTSHRFFAR1
SCHEMBL17933726 0.87 THRB (0.43) THRBTSHRAR
SCHEMBL17933633 0.87 THRB (0.55) ACACBTHRBTSHR
SCHEMBL19787887 0.86 TSHR (0.42) THRBTSHRAR
SCHEMBL21043404 0.86 TSHR (0.48) THRBTSHRARFFAR1
SCHEMBL14173314 0.86 THRB (0.42) ACACBTHRBTSHRAR

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
US-7527746-B2 Liquid crystal polyfunctional acrylate derivative and polymer thereof CHISSO CORPORATION (JP) 2009-05-05 US disclosed