SCHEMBL10168246

SCHEMBL10168246

C=CC(=O)OCC(C)COC(=O)CC(=C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 2/20 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
SCHEMBL8965855 0.81 TSHR (0.75) TSHRHSD17B10HPGDALDH1A1TP53
SCHEMBL8199981 0.80 MAPT (0.44) TSHRHSD17B10ALOX15MAPK1
SCHEMBL28655095 0.80 TSHR (0.62) TSHRHSD17B10HPGDALDH1A1TP53
Itaconate SCHEMBL20506728 0.79 HSD17B10 (0.55) TSHRHSD17B10ALOX15HPGDALDH1A1
SCHEMBL10168300 0.79 TSHR (0.53) TSHRHSD17B10ALOX15ALDH1A1THRB
SCHEMBL2522797 0.79 GPR88 (0.34) TSHRHSD17B10ALOX15CYP3A4
SCHEMBL16609326 0.78 TSHR (0.53) TSHRHSD17B10ALOX15HPGDALDH1A1
SCHEMBL2240017 0.78 TSHR (0.48) TSHRHSD17B10ALOX15HPGDALDH1A1
SCHEMBL10168245 0.78 TSHR (0.44) TSHRHSD17B10ALOX15HPGDALDH1A1
SCHEMBL10168232 0.78 TSHR (0.55) TSHRHSD17B10HPGDALDH1A1TP53

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