SCHEMBL5137841

SCHEMBL5137841

CCOC(=O)Oc1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.40
CDK1 P06493 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NLRP3 Q96P20 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL4459068 0.91 GAA (0.54) GAACYP1A2CDK1MAPTTP53
SCHEMBL6053633 0.87 GAA (0.54) GAACYP1A2CDK1MAPTTP53
Pyrazosulfuron Ethyl SCHEMBL22006 0.84 GAA (0.48) GAACYP1A2CDK1MAPTTP53
Pyrazosulfuron Ethyl SCHEMBL15513045 0.83 GAA (0.47) GAACYP1A2CDK1MAPTTP53
Pyrazosulfuron Ethyl SCHEMBL15524983 0.83 GAA (0.47) GAACYP1A2CDK1MAPTTP53
Pyrazosulfuron Ethyl SCHEMBL2440654 0.81 GAA (0.45) GAACYP1A2CDK1MAPTTP53
Pyrazosulfuron Ethyl SCHEMBL369569 0.81 GAA (0.45) GAACYP1A2CDK1MAPTTP53
SCHEMBL9660372 0.80 GAA (0.50) GAACYP1A2CDK1MAPTTP53
SCHEMBL9195352 0.80 GAA (0.44) GAACDK1MAPTMEN1KMT2A
SCHEMBL116670 0.79 GAA (0.53) GAACYP1A2CDK1MAPTTP53

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
JP-4118948-B2 2008-07-16 JP claimed
EP-0861026-B1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AG (DE) 2003-04-02 EP claimed
JP-2000503297-A 2000-03-21 JP claimed
EP-0861026-A1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AKTIENGESELLSCHAFT (DE) 1998-09-02 EP claimed
WO-1997010710-A1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO claimed
EP-0861026-B1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AG (DE) 2003-04-02 EP disclosed
EP-0861026-A1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AKTIENGESELLSCHAFT (DE) 1998-09-02 EP disclosed
WO-1997010710-A1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO disclosed