SCHEMBL12596293

SCHEMBL12596293

C=C(C)C(=O)OCCOCCC(CC)(COCCOC(=O)C(=C)C)COCCOC(=O)C(=C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.57
TSHR P16473 6/20 0.44
ALDH1A1 P00352 5/20 0.34
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL268727 0.90 THRB (0.65) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20712907 0.86 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL268440 0.85 THRB (0.66) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2848811 0.84 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19342611 0.83 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13862867 0.83 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9167028 0.82 THRB (0.62) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9555330 0.82 THRB (0.62) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19043109 0.82 THRB (0.62) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL489377 0.81 TSHR (0.54) THRBTSHRALDH1A1POLBAPEX1

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-20110124767-A1 METHOD FOR PRODUCING LAMINATE, BARRIER FILM SUBSTRATE, DEVICE AND OPTICAL MEMBER TSUKAHARA JIRO 2011-05-26 US disclosed
US-20110124767-A1 METHOD FOR PRODUCING LAMINATE, BARRIER FILM SUBSTRATE, DEVICE AND OPTICAL MEMBER TSUKAHARA JIRO 2011-05-26 US disclosed