Metolachor

Metolachor

SCHEMBL8060026

CCc1cccc(C)c1N(C(=O)CCl)C(C)COC.NC(=O)CCl

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
THRB P10828 1/20 0.55
MAPT P10636 1/20 0.54
TP53 P04637 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
CYP3A4 P08684 1/20 0.51
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PLA2G1B P04054 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
RORC P51449 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
S-Metolachlor SCHEMBL31170483 0.95 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL21385 0.95 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL29397526 0.95 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL18115413 0.95 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL8190790 0.95 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
S-Metolachlor SCHEMBL118065 0.95 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL338302 0.95 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL29357706 0.95 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL20723468 0.94 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL20723457 0.94 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2THRB

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-2365754-B1 HERBICIDAL COMPOSITIONS CONTAINING BENZOYLPYRAZOLE COMPOUNDS ISHIHARA SANGYO KAISHA (JP) 2016-09-21 EP claimed
EP-1018886-A1 CONTROL OF CYPERUS SPP. WITH A FUNGAL PATHOGEN UNIVERSITY OF FLORIDA (US) 2000-07-19 EP disclosed
WO-1998008389-A1 CONTROL OF CYPERUS SPP. WITH A FUNGAL PATHOGEN UNIVERSITY OF FLORIDA (US) 1998-03-05 WO disclosed