SCHEMBL10168261

SCHEMBL10168261

C=C(C)C(=O)OCC(CC)OC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL194103 0.90 TSHR (0.34) TSHRALDH1A1TP53CYP3A4KDM4E
SCHEMBL10168263 0.88 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL11806523 0.84 TSHR (0.50) TSHRALDH1A1TP53CYP3A4KDM4E
SCHEMBL6929571 0.83 TSHR (0.38) TSHRALDH1A1THRBTP53CYP3A4
SCHEMBL18768684 0.83 PEPD (0.38) TP53CYP3A4
SCHEMBL6930399 0.78 TSHR (0.33) TSHRTP53CYP3A4
SCHEMBL18929745 0.77 PEPD (0.34) TSHRALDH1A1KDM4E
SCHEMBL10287547 0.77 PEPD (0.34) TP53CYP3A4
SCHEMBL158386 0.76 TSHR (0.57) TSHRALDH1A1THRBHTT
SCHEMBL11233910 0.76 TP53 (0.40) ALDH1A1TP53CYP3A4

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
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-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