SCHEMBL1854850

SCHEMBL1854850

CCCCCCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TTR P02766 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ESR1 P03372 1/20 0.45
GRM8 O00222 1/20 0.43

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
SCHEMBL29511208 1.00 GPR35 (0.47) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL1506606 0.99 GPR35 (0.48) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL29389790 0.89 GPR35 (0.51) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL118439 0.89 GPR35 (0.51) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL5245639 0.85 TDP1 (0.49) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL1856659 0.84 GPR35 (0.47) GPR35ALDH1A1TDP1MEN1KMT2A
Dinoseb SCHEMBL8534879 0.83 TDP1 (0.62) GPR35ALDH1A1TDP1MEN1KMT2A
Dinoseb SCHEMBL54664 0.83 TDP1 (0.62) GPR35ALDH1A1TDP1MEN1KMT2A
Dinoseb SCHEMBL29365762 0.83 TDP1 (0.62) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL11221680 0.82 TDP1 (0.56) GPR35ALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110455962-A A kind of measuring method for the more residual quantities of mite that disappear in vegetable food product CHINESE ACAD INSPECTION & QUARANTINE 2019-11-15 CN claimed
WO-1996015107-A1 DITHIOCARBAMATE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-05-23 WO claimed
CN-107422054-B method for detecting residual quantity of meptyldinocap in tobacco YUNNAN ACADEMY OF TOBACCO AGRICULTURAL SCIENCE (CN) 2019-12-10 CN disclosed
CN-110455962-A A kind of measuring method for the more residual quantities of mite that disappear in vegetable food product CHINESE ACAD INSPECTION & QUARANTINE 2019-11-15 CN disclosed
US-8557866-B2 Isomeric mixtures of dinitro-octylphenyl esters and synergistic fungicidal mixtures therefrom DOW AGROSCIENCES, LLC. (US) 2013-10-15 US disclosed
EP-1830641-B1 ISOMERIC MIXTURES OF DINITRO-OCTYLPHENYL ESTERS AND SYNERGISTIC FUNGICIDAL MIXTURES THEREFROM DOW AGROSCIENCES LLC (US) 2011-05-25 EP disclosed
CN-101060780-B Isomeric mixtures of dinitro-octylphenyl esters and synergistic fungicidal mixtures therefrom DOW AGROSCIENCES LLC 2011-04-20 CN disclosed
US-20080255233-A1 Isomeric mixtures of dinitro-octylphenyl esters and synergistic fungicidal mixtures therefrom DOW AGROSCIENCES LLC (US) 2008-10-16 US disclosed
CN-101060780-A Isomeric mixtures of dinitro-octylphenyl esters and synergistic fungicidal mixtures therefrom DOW AGROSCIENCES LLC (US) 2007-10-24 CN disclosed
EP-1830641-A1 ISOMERIC MIXTURES OF DINITRO-OCTYLPHENYL ESTERS AND SYNERGISTIC FUNGICIDAL MIXTURES THEREFROM Dow AgroSciences LLC (US) 2007-09-12 EP disclosed
WO-2006044460-A1 ISOMERIC MIXTURES OF DINITRO-OCTYLPHENYL ESTERS AND SYNERGISTIC FUNGICIDAL MIXTURES THEREFROM DOW AGROSCIENCES LLC (US) 2006-04-27 WO disclosed
WO-1996015107-A1 DITHIOCARBAMATE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-05-23 WO disclosed
WO-1996015107-A1 DITHIOCARBAMATE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-05-23 WO disclosed