SCHEMBL3467788

SCHEMBL3467788

CCc1cccc(C)c1N(CC(C)OC)C(=O)CCl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.65
ALDH1A1 P00352 5/20 0.65
TDP1 Q9NUW8 3/20 0.65
CYP3A4 P08684 1/20 0.65
NR1I2 O75469 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.35
GPX4 P36969 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
PLA2G1B P04054 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL10428571 0.92 TP53 (0.66) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9211212 0.91 ALDH1A1 (0.51) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9214020 0.90 TP53 (0.65) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL16394235 0.87 TP53 (0.67) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL10726553 0.82 TP53 (0.84) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9066705 0.82 TP53 (0.51) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL10858355 0.81 TP53 (0.74) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL65705 0.81 TP53 (0.74) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL29349823 0.81 TP53 (0.74) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL10530113 0.80 TP53 (0.57) TP53ALDH1A1TDP1CYP3A4NR1I2

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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143071-A2 CARBAMOYL TRIAZOLINONE BASED HERBICIDE COMBINATIONS AND METHODS OF USE ARYSTA LIFESCIENCE CORPORATION (JP) 2010-12-16 WO claimed
EP-1691605-A4 SUBMICRON MESOTRIONE COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2007-02-21 EP claimed
EP-1691605-A2 SUBMICRON MESOTRIONE COMPOSITIONS Syngenta Participations AG (CH) 2006-08-23 EP claimed
WO-2005055714-A2 SUBMICRON MESOTRIONE COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2005-06-23 WO claimed
WO-1997034486-A1 HERBICIDAL COMPOSITIONS RHONE-POULENC AGROCHIMIE (FR) 1997-09-25 WO claimed
EP-0784431-A1 SYNERGISTIC ACTIVE SUBSTANCE HERBICIDE COMBINATIONS WITH 1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-5-(2-CHLOROPROPIONAMIDO)-4-NITROPYRAZOL BAYER AG (DE) 1997-07-23 EP claimed
EP-0778732-A1 SELECTIVE HERBICIDES BASED ON ARYL URACILS BAYER AG (DE) 1997-06-18 EP claimed
WO-1996010333-A1 SYNERGISTIC ACTIVE SUBSTANCE HERBICIDE COMBINATIONS WITH 1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-5-(2-CHLOROPROPIONAMIDO)-4-NITROPYRAZOL BAYER AKTIENGESELLSCHAFT (DE) 1996-04-11 WO claimed
WO-1996007323-A1 SELECTIVE HERBICIDES BASED ON ARYL URACILS BAYER AKTIENGESELLSCHAFT (DE) 1996-03-14 WO claimed
US-4892577-A HERBICIDES MOBAY CORPORATION (US) 1990-01-09 US claimed
EP-0236268-A1 Plant protection by means of N-halogenoacetyl isoquinolines against herbicidal halogen acetanilides CIBA-GEIGY AG (CH) 1987-09-09 EP claimed
EP-0174278-A1 N-(substituted-alkyl) dichloroacetamide derivatives CIBA-GEIGY AG (CH) 1986-03-12 EP claimed
EP-3139739-A1 PICKERING EMULSION FORMULATIONS The University of Birmingham (GB) 2017-03-15 EP disclosed
WO-2015170099-A1 PICKERING EMULSION FORMULATIONS THE UNIVERSITY OF BIRMINGHAM (GB) 2015-11-12 WO disclosed
WO-2013134310-A1 HERBICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2013-09-12 WO disclosed
EP-2265373-A2 HYDROGENATION OF IMINES United Phosphorus Limited (IN) 2010-12-29 EP disclosed
EP-0030424-A2 Derivatives of 4-(methylphosphinyl)-2-oxobutanoic acid, herbicidal compositions containing them, and intermediates and methods for their production HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-17 EP disclosed
EP-0020052-A1 Novel substituted nitrodiphenyl ethers, herbicidal compositions containing them, processes for the preparation thereof and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1980-12-10 EP disclosed
EP-0012158-A2 Oxime derivatives and their use in the protection of cultivated plants CIBA-GEIGY AG (CH) 1980-06-25 EP disclosed
EP-0006348-A1 Surfactant compositions and biologically active formulations prepared therewith ICI AMERICAS INC. (US) 1980-01-09 EP disclosed