SCHEMBL22689656

SCHEMBL22689656

C=C(OC(=O)CS)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
SOAT1 P35610 1/20 0.38
MAPT P10636 2/20 0.36
TRPA1 O75762 1/20 0.35
GLO1 Q04760 1/20 0.35
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
CASP1 P29466 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
SCHEMBL6247179 0.85 ALDH1A1 (0.47) ALDH1A1TSHRNPSR1HSD17B10MGAM
SCHEMBL28363470 0.80 ALDH1A1 (0.56) ALDH1A1TSHRNPSR1HSD17B10MGAM
SCHEMBL4868944 0.80 ALDH1A1 (0.42) ALDH1A1TSHRNPSR1HSD17B10MGAM
SCHEMBL623935 0.78 MGAM (0.41) ALDH1A1TSHRNPSR1HSD17B10MGAM
SCHEMBL3137530 0.77 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1HSD17B10MGAM
SCHEMBL29004516 0.76 THRB (0.46) ALDH1A1TSHRNPSR1HSD17B10MGAM
SCHEMBL94679 0.75 ALDH1A1 (0.54) ALDH1A1TSHRNPSR1HSD17B10MGAM
SCHEMBL11502383 0.75 ALOX15 (0.52) ALDH1A1TSHRNPSR1HSD17B10MGAM
SCHEMBL28015204 0.75 THRB (0.48) ALDH1A1TSHRNPSR1HSD17B10MGAM
SCHEMBL29022787 0.74 DGKA (0.52) ALDH1A1TSHRMAPTLMNAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020235557-A1 PRINTING INK, METHOD FOR PRODUCING PRINTED WORK USING SAID INK, AND PRINTED WORK 東レ株式会社 (JP) 2020-11-26 WO disclosed