SCHEMBL534652

SCHEMBL534652

C=C(C)C(=O)OCCCOCCCOc1ccc(C2(c3ccc(OCCCOCCCOC(=O)C(=C)C)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDK2 Q15119 13/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL534807 0.96 POLB (0.53) POLBAPEX1HTTTDP1PDK2
SCHEMBL14889149 0.92 POLB (0.45) POLBAPEX1HTTTDP1PDK2
SCHEMBL157502 0.91 POLB (0.48) POLBAPEX1HTTTDP1PDK2
SCHEMBL30800968 0.91 POLB (0.48) POLBAPEX1HTTTDP1PDK2
SCHEMBL13878666 0.86 POLB (0.44) POLBAPEX1HTTTDP1PDK2
SCHEMBL4205858 0.86 POLB (0.44) POLBAPEX1HTTTDP1PDK2
SCHEMBL20110392 0.86 POLB (0.41) POLBAPEX1HTTTDP1PDK2
SCHEMBL4251695 0.85 POLB (0.45) POLBAPEX1HTTTDP1PDK2
SCHEMBL4953296 0.84 POLB (0.40) POLBAPEX1HTTTDP1PDK2
SCHEMBL24469748 0.84 PDK2 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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