SCHEMBL4667450

SCHEMBL4667450

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 13/20 0.38
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
JAK2 O60674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HSD17B1 P14061 2/20 0.32
CUL4A Q13619 1/20 0.32
GLA P06280 1/20 0.32
RECQL P46063 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL16612938 0.89 HSD17B2 (0.37) HSD17B2KDM4EHPGDHSD17B10MAPT
SCHEMBL3088157 0.88 HSD17B2 (0.48) HSD17B2HSD17B1
SCHEMBL16612801 0.84 HSD17B2 (0.38) HSD17B2KDM4EHPGDHSD17B10MAPT
SCHEMBL3082984 0.83 HSD17B2 (0.32) HSD17B2
SCHEMBL3089511 0.83 HSD17B2 (0.37) HSD17B2KDM4EHPGDHSD17B10MAPT
SCHEMBL4904432 0.76 KDM4E (0.57) HSD17B2KDM4EMAPTGAAHSD17B1
SCHEMBL16372098 0.74 CUL4A (0.39) HSD17B2KDM4EHPGDHSD17B10MAPT
SCHEMBL3092091 0.74 HSD17B2 (0.40) HSD17B2KDM4EHPGDHSD17B10MAPT
SCHEMBL3089100 0.73 CUL4A (0.38) HSD17B2KDM4EHPGDHSD17B10MAPT
SCHEMBL3079789 0.71 TYMS (0.39) KDM4EHPGDHSD17B10MAPTALDH1A1

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-3019012-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2016-05-18 EP disclosed
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
WO-2015004040-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-01-15 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