SCHEMBL1728192

SCHEMBL1728192

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
HTR7 P34969 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL1730271 0.79 GAA (0.34) ALDH1A1TDP1LMNAHSD17B10GAA
SCHEMBL11494557 0.73 MYC (0.38) ALDH1A1TDP1LMNAHSD17B10GAA
SCHEMBL1729796 0.69 ALDH1A1 (0.64) ALDH1A1TDP1GAARAB9ASMN1; SMN2
SCHEMBL8097900 0.69 ALDH1A1 (0.38) ALDH1A1TDP1LMNAHSD17B10GAA
SCHEMBL13178301 0.68 TDP1 (0.34) ALDH1A1TDP1LMNAHSD17B10TSHR
SCHEMBL13178298 0.68 TDP1 (0.34) ALDH1A1TDP1LMNAHSD17B10TSHR
SCHEMBL13178299 0.68 TDP1 (0.34) ALDH1A1TDP1LMNAHSD17B10TSHR
SCHEMBL11618596 0.66 ALDH1A1 (0.50) ALDH1A1TDP1LMNAHSD17B10GAA
SCHEMBL14855937 0.66 ALDH1A1 (0.33) ALDH1A1TDP1LMNAHSD17B10SMN1; SMN2
SCHEMBL14855938 0.66 ALDH1A1 (0.33) ALDH1A1TDP1LMNAHSD17B10SMN1; SMN2

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 5 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-B1 Use of dithiin tetracarboximides for combating phytopathogenic fungi BAYER CROPSCIENCE AG (DE) 2013-11-20 EP disclosed
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