SCHEMBL1730271

SCHEMBL1730271

CCC(COC(C)=O)n1c(=O)c2sc3c(=O)n(C(CC)COC(C)=O)c(=O)c3sc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLS O94925 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
SCHEMBL1728192 0.79 ALDH1A1 (0.37) GAAALDH1A1LMNAHSD17B10TDP1
SCHEMBL8096047 0.71 ALDH1A1 (0.40) GAAALDH1A1LMNAHSD17B10TDP1
SCHEMBL3377826 0.68 POLB (0.37) ALDH1A1LMNAHSD17B10TDP1
SCHEMBL1729796 0.67 ALDH1A1 (0.64) GAAALDH1A1TDP1
SCHEMBL6663892 0.67 KMT2A (0.44) GAAALDH1A1LMNAHSD17B10
SCHEMBL1729834 0.67 TSHR (0.43) ALDH1A1LMNAHSD17B10
SCHEMBL27305 0.63 ALDH1A1 (0.50) GAAALDH1A1LMNAHSD17B10TDP1
SCHEMBL12889164 0.63 ALDH1A1 (0.50) GAAALDH1A1LMNAHSD17B10TDP1
SCHEMBL5821155 0.61
SCHEMBL309720 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386203-B1 Use of dithiin tetracarboximides for combating phytopathogenic fungi BAYER CROPSCIENCE AG (DE) 2013-11-20 EP claimed
EP-2386203-A2 Use of dithiin tetracarboximides for combating phytopathogenic fungi Bayer CropScience AG (DE) 2011-11-16 EP claimed
US-8040455-B2 Display device and information processing device having the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US claimed
EP-2271219-B1 USE OF DITHIIN TETRACARBOXIMIDES FOR TREATING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-11-23 EP disclosed
EP-2386203-A2 Use of dithiin tetracarboximides for combating phytopathogenic fungi Bayer CropScience AG (DE) 2011-11-16 EP disclosed
US-8040455-B2 Display device and information processing device having the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US disclosed