SCHEMBL1854553

SCHEMBL1854553

CCCCCCCC(c1ccccc1O)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HSP90AB1 P08238 1/20 0.39
NAAA Q02083 1/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 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
SCHEMBL726417 0.88 TSHR (0.41) HSP90AA1ALDH1A1MEN1MAPTKMT2A
SCHEMBL10980604 0.78 HSP90AA1 (0.45) HSP90AA1ALDH1A1NAAACES2CES1
SCHEMBL982327 0.76 ALDH1A1 (0.45) HSP90AA1ALDH1A1MEN1MAPTHTT
SCHEMBL982946 0.76 ALDH1A1 (0.45) HSP90AA1ALDH1A1MEN1MAPTHTT
SCHEMBL982042 0.76 ALDH1A1 (0.45) HSP90AA1ALDH1A1MEN1MAPTHTT
SCHEMBL983892 0.76 ALDH1A1 (0.45) HSP90AA1ALDH1A1MEN1MAPTHTT
SCHEMBL983726 0.76 ALDH1A1 (0.45) HSP90AA1ALDH1A1MEN1MAPTHTT
SCHEMBL983933 0.76 ALDH1A1 (0.45) HSP90AA1ALDH1A1MEN1MAPTHTT
SCHEMBL985042 0.76 ALDH1A1 (0.45) HSP90AA1ALDH1A1MEN1MAPTHTT
SCHEMBL984841 0.76 ALDH1A1 (0.45) HSP90AA1ALDH1A1MEN1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080255233-A1 Isomeric mixtures of dinitro-octylphenyl esters and synergistic fungicidal mixtures therefrom DOW AGROSCIENCES LLC (US) 2008-10-16 US 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
US-4324799-A Fungicidal thioglycolic acid anilides, processes for their manufacture and pesticidal compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-13 US disclosed
US-3932509-A FUNGICIDES, VIRICIDES CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed