SCHEMBL3256540

SCHEMBL3256540

COC(=O)Oc1cn(C)nc1C(OC)OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
CUL4A Q13619 1/20 0.31
GAA P10253 2/20 0.31
JAK2 O60674 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 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
SCHEMBL1396811 0.84 KDM4E (0.36) KDM4EHPGDHSD17B10GLAKMT2A
SCHEMBL1015004 0.84 KMT2A (0.36) KDM4EHPGDHSD17B10GLAKMT2A
SCHEMBL3256552 0.77 KMT2A (0.40) KDM4EHPGDHSD17B10GLAKMT2A
SCHEMBL3294649 0.75 MAPT (0.39) GLAKMT2AGAAALDH1A1MAPT
SCHEMBL3252799 0.74 KDM4E (0.36) KDM4EHPGDHSD17B10GLAKMT2A
SCHEMBL5652284 0.73 GAA (0.35) KDM4EHPGDHSD17B10KMT2AGAA
SCHEMBL3118115 0.71 ALDH1A1 (0.34) KDM4EHSD17B10ALDH1A1HTTPOLB
SCHEMBL4563231 0.70 TSHR (0.32) GAA
SCHEMBL4563987 0.70 TSHR (0.32) KMT2ASMN1; SMN2
SCHEMBL1010935 0.70 ADORA3 (0.36) KDM4EHSD17B10KMT2ACUL4AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678142-B1 HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-10-01 EP disclosed
EP-1678141-B1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-2192115-B1 1,3-DIMETHYLBUTYLCARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-2192115-A1 1,3-dimethylbutylcarboxanilides for controlling undesirable micro-organisms Bayer CropScience AG (DE) 2010-06-02 EP disclosed
EP-1678142-A1 HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS Bayer CropScience AG (DE) 2006-07-12 EP disclosed
EP-1678141-A1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-07-12 EP disclosed
WO-2005042493-A1 HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
WO-2005042492-A1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed