SCHEMBL10168286

SCHEMBL10168286

C=C(C)C(=O)OCCC(C)OC(=O)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.40
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 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
SCHEMBL19845007 0.91 TSHR (0.44) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2464778 0.86 TSHR (0.43) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11805231 0.84 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL24963 0.82 TSHR (0.52) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11684183 0.81 TSHR (0.44) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28153515 0.81 TSHR (0.44) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7738340 0.80 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4593744 0.80 THRB (0.52) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19844981 0.79 TSHR (0.37) TSHRTHRBPOLBAPEX1HTT
Propane SCHEMBL8440363 0.79 THRB (0.50) TSHRTHRBPOLBAPEX1HTT

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-8529803-B2 Curable coloring composition, color filter and method for producing same, and quinophthalone dye FUJIFILM CORPORATION (JP) 2013-09-10 US disclosed
US-20120112142-A1 CURABLE COLORING COMPOSITION, COLOR FILTER AND METHOD FOR PRODUCING SAME, AND QUINOPHTHALONE DYE FUJIFILM CORPORATION (JP) 2012-05-10 US disclosed