SCHEMBL3668141

SCHEMBL3668141

CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12.COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CDK1 P06493 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 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
SCHEMBL14655326 0.88 ALDH1A1 (0.40) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL3262408 0.87
Clethodim SCHEMBL2152524 0.84
SCHEMBL2373578 0.83 PKM (0.40) ALDH1A1HPGDKDM4ELMNAPKM
SCHEMBL3265476 0.82
SCHEMBL3262101 0.79
Florasulam SCHEMBL3261848 0.79
SCHEMBL3264350 0.79
Carfentrazone-Ethyl SCHEMBL3263926 0.78
SCHEMBL116828 0.76 CDK1 (0.52) MAPTCDK1GLAKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2232998-A1 Synergistically active herbicidal agents that are compatible with cultivated plants and contain herbicides from the group of benzoylpyrazoles Bayer CropScience AG (DE) 2010-09-29 EP disclosed
EP-2096913-A1 SYNERGISTICALLY ACTIVE HERBICIDAL AGENTS THAT ARE COMPATIBLE WITH CULTIVATED PLANTS AND CONTAIN HERBICIDES FROM THE GROUP OF BENZOYLPYRAZOLES Bayer CropScience AG (DE) 2009-09-09 EP disclosed
WO-2008064781-A1 SYNERGISTICALLY ACTIVE HERBICIDAL AGENTS THAT ARE COMPATIBLE WITH CULTIVATED PLANTS AND CONTAIN HERBICIDES FROM THE GROUP OF BENZOYLPYRAZOLES BAYER CROPSCIENCE AG (DE) 2008-06-05 WO disclosed