SCHEMBL10033503

SCHEMBL10033503

C=C(C)C(=O)OCCOCCOCCOC(=O)C(C)(C)Br

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.58
TSHR P16473 6/20 0.43
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 5/20 0.35
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL10033502 1.00 THRB (0.58) THRBTSHRPOLBAPEX1HTT
SCHEMBL10033488 1.00 THRB (0.58) THRBTSHRPOLBAPEX1HTT
SCHEMBL711490 0.95 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL12319771 0.88 TSHR (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL12623917 0.86 TSHR (0.61) THRBTSHRPOLBAPEX1HTT
SCHEMBL13528759 0.86 TSHR (0.61) THRBTSHRPOLBAPEX1HTT
SCHEMBL11105785 0.86 THRB (0.61) THRBTSHRPOLBAPEX1HTT
SCHEMBL29664486 0.85 ALDH1A1 (0.38) THRBTSHRPOLBALDH1A1TP53
SCHEMBL14507455 0.85 ALDH1A1 (0.38) THRBTSHRPOLBALDH1A1TP53
SCHEMBL17356889 0.84 THRB (0.44) THRBTSHRPOLBAPEX1HTT

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-20120009385-A1 RESIN COMPLEX AND LAMINATE FUJIFILM CORPORATION (JP) 2012-01-12 US disclosed
US-20100279012-A1 METHOD FOR ADSORBING PLATING CATALYST, METHOD FOR PREPARING SUBSTRATE PROVIDED WITH METAL LAYER, AND PLATING CATALYST SOLUTION USED IN THE SAME FUJIFILM CORPORATION (JP) 2010-11-04 US disclosed