SCHEMBL1729797

SCHEMBL1729797

O=C(O)CCCn1c(=O)c2sc3c(=O)n(CCCC(=O)O)c(=O)c3sc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.44
FABP5 Q01469 2/20 0.44
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.42
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
LMNA P02545 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APEX1 P27695 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL3377104 0.94 FABP4 (0.46) FABP4FABP5MAPK1KDM4EHSD17B10
SCHEMBL411981 0.76 APEX1 (0.54) FABP4FABP5MAPK1KDM4EHSD17B10
SCHEMBL1746830 0.72 ALDH1A1 (0.36) KDM4EHSD17B10LMNACYP1A2
SCHEMBL1074421 0.71 L3MBTL1 (0.46) HSD17B10KAT2BPTGS1PTGS2SMN1; SMN2
SCHEMBL7344985 0.71 KDM4E (0.49) FABP4FABP5MAPK1KDM4EHSD17B10
SCHEMBL25465028 0.70 PTGS1 (0.53) FABP4FABP5PTGS1PTGS2LMNA
SCHEMBL3771053 0.69 FABP4 (0.46) FABP4FABP5MAPK1KDM4EHSD17B10
SCHEMBL30976974 0.69 APEX1 (0.47) FABP4FABP5MAPK1KDM4EHSD17B10
SCHEMBL25465029 0.68 PTGS1 (0.57) FABP4FABP5PTGS1PTGS2LMNA
SCHEMBL6520401 0.68 APEX1 (0.78) FABP4FABP5MAPK1KDM4EHSD17B10

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 7 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-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