SCHEMBL27686233

SCHEMBL27686233

CCCCC(CC(Cc1ccccc1O)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MGLL Q99685 1/20 0.38
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.34
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
KAT8 Q9H7Z6 2/20 0.33
IAPP P10997 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2A Q92830 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT5 Q92993 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL11760844 0.78 ALDH1A1 (0.33) TSHRLMNAMEN1KMT2A
SCHEMBL726420 0.77 HSPA5 (0.38) TSHRMGLLAKR1B1
SCHEMBL28051902 0.77 HSPA5 (0.38) TSHRMGLLAKR1B1
SCHEMBL11239755 0.77 MGLL (0.41) TSHRMGLLAKR1B1
SCHEMBL28899674 0.77 MGLL (0.41) TSHRMGLLAKR1B1
SCHEMBL28083879 0.76 THRA (0.41) TSHRPPARGMEN1KMT2A
SCHEMBL28017267 0.76 THRA (0.41) TSHRPPARGMEN1KMT2A
SCHEMBL9771504 0.74 BID (0.34) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL294000 0.72 TSHR (0.44) TSHRLMNAHTR1ABIDMCL1
SCHEMBL10902230 0.71 TSHR (0.46) TSHRLMNAHTR1ABIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101060780-B Isomeric mixtures of dinitro-octylphenyl esters and synergistic fungicidal mixtures therefrom DOW AGROSCIENCES LLC 2011-04-20 CN disclosed
CN-101060780-A Isomeric mixtures of dinitro-octylphenyl esters and synergistic fungicidal mixtures therefrom DOW AGROSCIENCES LLC (US) 2007-10-24 CN disclosed