Acetochlor

Acetochlor

SCHEMBL4053953

CCOCN(C(=O)CCl)c1c(C)cccc1CC.CCOCN(C(=O)CCl)c1c(C)cccc1CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 1.00
ALDH1A1 P00352 5/20 1.00
TDP1 Q9NUW8 3/20 1.00
CYP3A4 P08684 1/20 1.00
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
POLB P06746 1/20 0.57
NR1I2 O75469 1/20 0.56
TSHR P16473 2/20 0.54
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PAX8 Q06710 2/20 0.38
GPX4 P36969 1/20 0.38
NLRP3 Q96P20 1/20 0.36
JAK2 O60674 1/20 0.36
HTT P42858 1/20 0.36

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
Acetochlor SCHEMBL29366709 1.00 TP53 (1.00) TP53ALDH1A1TDP1CYP3A4MEN1
Acetochlor SCHEMBL21390 1.00 TP53 (1.00) TP53ALDH1A1TDP1CYP3A4MEN1
Acetochlor SCHEMBL20723427 0.99 TP53 (0.97) TP53ALDH1A1TDP1CYP3A4MEN1
Acetochlor SCHEMBL20723460 0.99 TP53 (0.97) TP53ALDH1A1TDP1CYP3A4MEN1
Acetochlor SCHEMBL9298916 0.97 TP53 (0.95) TP53ALDH1A1TDP1CYP3A4MEN1
Acetochlor SCHEMBL9067120 0.96 TP53 (0.92) TP53ALDH1A1TDP1CYP3A4MEN1
Acetochlor SCHEMBL465177 0.95 TP53 (0.90) TP53ALDH1A1TDP1CYP3A4MEN1
Acetochlor SCHEMBL2423012 0.94 TP53 (0.88) TP53ALDH1A1TDP1CYP3A4MEN1
Acetochlor SCHEMBL19858974 0.94 TP53 (0.88) TP53ALDH1A1TDP1CYP3A4MEN1
Acetochlor SCHEMBL9716471 0.92 TP53 (0.84) TP53ALDH1A1TDP1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1269402-C Weeding fertilizer for rape field JIANGSU ECOLOGICAL AGRICULTURE (CN) 2006-08-16 CN claimed
CN-101398414-B Method for qualitatively screening 242 kinds of compounds by liquid phase chromatography-mass spectra at the same times CRIMINAL INVEST DEPT OF SHANGHAI POLICE STATION 2011-07-20 CN disclosed
WO-2009117621-A1 PEST CONTROL COMPOSITIONS AND METHODS TYRATECH, INC. (US) 2009-09-24 WO disclosed
CN-101398414-A Method for qualitatively screening 242 kinds of compounds by liquid phase chromatography-mass spectra at the same times CRIMINAL INVEST GENERAL UNIT O (CN) 2009-04-01 CN disclosed
US-20060265779-A1 Genetic and epigenetic manipulation of ABC transporters and ecto-phosphatases for the conference of drug resistance and for the loss of drug resistance in biological systems and methods for the detection of ecto-phosphatase inhibitors NATIONAL SCIENCE FOUNDATION 2006-11-23 US disclosed
CN-1596649-A Herbicide composition containing methyl sulcotrione MA YUNSHENG (CN) 2005-03-23 CN disclosed
EP-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed
US-5741756-A MIXTURES WITH 2-(2'-NITRO-4'METHYLSULFONYLBENZOYL)-1,3-CYCLOHEXANEDIONE ZENECA LIMITED (GB) 1998-04-21 US disclosed
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0574418-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1993-12-22 EP disclosed
EP-0546082-A1 HERBICIDAL PYRROLESULFONYLUREAS. DU PONT (US) 1993-06-16 EP disclosed
WO-1992022203-A1 SUBSTITUTED PYRIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-23 WO disclosed
WO-1992020684-A1 HERBICIDAL OXATRICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-26 WO disclosed
WO-1992013845-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-20 WO disclosed
WO-1992009587-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1992009578-A1 SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1992004827-A1 HERBICIDAL SUBSTITUTED BICYCLIC TRIAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-02 WO disclosed