SCHEMBL534651

SCHEMBL534651

C=C(C)C(=O)OC(C)COCCCOc1ccc(C2(c3ccc(OCCCOCC(C)OC(=O)C(=C)C)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDK2 Q15119 12/20 0.34
CHRM2 P08172 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRM3 P20309 4/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL534806 0.89 PDK2 (0.39) POLBAPEX1HTTTDP1PDK2
SCHEMBL2230357 0.87 PDK2 (0.39) POLBAPEX1HTTTDP1PDK2
SCHEMBL28627397 0.84 POLB (0.36) POLBAPEX1HTTTDP1PDK2
SCHEMBL534652 0.84 POLB (0.50) POLBAPEX1HTTTDP1PDK2
SCHEMBL534807 0.82 POLB (0.53) POLBAPEX1HTTTDP1PDK2
SCHEMBL13932692 0.80 POLB (0.38) POLBAPEX1HTTTDP1PDK2
SCHEMBL30800968 0.79 POLB (0.48) POLBAPEX1HTTTDP1PDK2
SCHEMBL157502 0.79 POLB (0.48) POLBAPEX1HTTTDP1PDK2
SCHEMBL14889149 0.78 POLB (0.45) POLBAPEX1HTTTDP1PDK2
SCHEMBL25159191 0.78 AR (0.39) POLBAPEX1HTTTDP1PDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013176279-A1 CURABLE COMPOSITION AND CURED MATERIAL OF THE SAME SHOWA DENKO K.K. (JP) 2013-11-28 WO disclosed
EP-2415794-A1 CURABLE COMPOSITION AND CURED PRODUCT THEREOF Showa Denko K.K. (JP) 2012-02-08 EP disclosed
US-20120010361-A1 CURABLE COMPOSITION AND CURED PRODUCT THEREOF SHOWA DENKO K.K. (JP) 2012-01-12 US disclosed