SCHEMBL3092091

SCHEMBL3092091

COC(=O)Oc1ccc(C(F)F)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.40
HSD17B1 P14061 1/20 0.40
KDM4E B2RXH2 8/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 4/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
JAK2 O60674 1/20 0.37
GLA P06280 2/20 0.34
RECQL P46063 1/20 0.34
TP53 P04637 1/20 0.32
CUL4A Q13619 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 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
SCHEMBL3071416 0.83 HSD17B2 (0.34) HSD17B2HSD17B1
SCHEMBL3088157 0.76 HSD17B2 (0.48) HSD17B2HSD17B1
SCHEMBL16612801 0.76 HSD17B2 (0.38) HSD17B2HSD17B1KDM4EHSD17B10HPGD
SCHEMBL4898553 0.75 KDM4E (0.60) HSD17B2HSD17B1KDM4EHSD17B10HPGD
SCHEMBL4667450 0.74 HSD17B2 (0.38) HSD17B2HSD17B1KDM4EHSD17B10HPGD
SCHEMBL17844559 0.72 KDM4E (0.51) KDM4EHSD17B10HPGDGAAMAPT
SCHEMBL9571014 0.72 PARP1 (0.38) KDM4EHSD17B10HPGDGAAMAPT
SCHEMBL3089511 0.72 HSD17B2 (0.37) HSD17B2HSD17B1KDM4EHSD17B10HPGD
SCHEMBL16612938 0.72 HSD17B2 (0.37) HSD17B2HSD17B1KDM4EHSD17B10HPGD
SCHEMBL16612698 0.71 CUL4A (0.40) KDM4EHSD17B10HPGDGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144879-B1 PYRIDON CARBOXAMIDES, AGENTS CONTAINING THESE BUT NOT IMPACTING USEFUL PLANTS AND METHOD FOR THEIR MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2015-04-08 EP disclosed
EP-2144879-A2 PYRIDONECARBOXAMIDES CROP PROTECTION AGENTS CONTAINING THE SAME METHOD FOR PRODUCTION AND USE THEREOF Bayer CropScience AG (DE) 2010-01-20 EP disclosed
WO-2008131860-A2 PYRIDONECARBOXAMIDES CROP PROTECTION AGENTS CONTAINING THE SAME METHOD FOR PRODUCTION AND USE THEREOF BAYER CROPSCIENCE AG (DE) 2008-11-06 WO disclosed
EP-1987717-A1 Pyridon carboxamides, agents containing these but not impacting useful plants and method for their manufacture and application Bayer CropScience AG (DE) 2008-11-05 EP disclosed