SCHEMBL12242520

SCHEMBL12242520

C=C(C)C(=O)COc1ccc(C#Cc2ccc(C#Cc3ccc(OCOC(=O)C(=C)C)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.44
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACACB O00763 12/20 0.36
GPR174 Q9BXC1 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL12242481 1.00 FFAR1 (0.44) FFAR1POLBAPEX1HTTTDP1
SCHEMBL12242494 0.96 FFAR1 (0.41) FFAR1POLBAPEX1HTTTDP1
SCHEMBL12242492 0.92 FFAR1 (0.40) FFAR1POLBAPEX1HTTTDP1
SCHEMBL12242512 0.91 POLB (0.42) FFAR1POLBAPEX1HTTTDP1
SCHEMBL12242504 0.89 TDP1 (0.44) FFAR1POLBAPEX1HTTTDP1
SCHEMBL12242506 0.87 FFAR1 (0.39) FFAR1POLBAPEX1HTTTDP1
SCHEMBL12242508 0.84 CASP3 (0.38) FFAR1POLBAPEX1HTTTDP1
SCHEMBL12242404 0.82 POLB (0.40) FFAR1POLBAPEX1HTTTDP1
SCHEMBL12375034 0.79 KMT2A (0.44) FFAR1POLBAPEX1HTTTDP1
SCHEMBL16541362 0.79 POLB (0.51) POLBAPEX1HTTTDP1GAA

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