SCHEMBL5266444

SCHEMBL5266444

CCCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC(C)C.CCCCCCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)SC

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.66
ALDH1A1 P00352 3/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
ESR1 P03372 1/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MGLL Q99685 1/20 0.31
TBXA2R P21731 1/20 0.31
HPGD P15428 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL163072 0.92 TDP1 (0.55) TDP1ALDH1A1CYSLTR2CYSLTR1ESR1
SCHEMBL1069925 0.90 TDP1 (0.54) TDP1ALDH1A1CYSLTR2CYSLTR1ESR1
SCHEMBL162187 0.88 TDP1 (0.83) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL11221647 0.84 TDP1 (0.54) TDP1ALDH1A1CYSLTR2CYSLTR1ESR1
SCHEMBL28165582 0.81 TDP1 (0.80) TDP1ALDH1A1CYSLTR2CYSLTR1ESR1
SCHEMBL11221680 0.80 TDP1 (0.56) TDP1ALDH1A1CYSLTR2CYSLTR1ESR1
SCHEMBL14906 0.80 TDP1 (1.00) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL29413979 0.80 TDP1 (1.00) TDP1ALDH1A1LMNAMEN1KMT2A
Hydrogen Sulfide SCHEMBL28307249 0.79 TDP1 (0.98) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL11221657 0.78 TDP1 (0.54) TDP1ALDH1A1CYSLTR2CYSLTR1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017205751-A1 IMPROVED INSECT CONTROL STRATEGIES UTILIZING PHEROMONES AND RNAI PROVIVI, INC. (US) 2017-11-30 WO disclosed
EP-1765072-A1 USE OF PHOSPHATED ALCANOLS AS DISPERSANTS, EMULSIFIERS, HYDROTROPES, WETTING AGENTS AND COMPATABILITY AGENTS IN AGRICULTURAL COMPOSITIONS Akzo Nobel N.V. (NL) 2007-03-28 EP disclosed
WO-2006019772-A1 USE OF PHOSPHATED ALCANOLS AS DISPERSANTS, EMULSIFIERS, HYDROTROPES, WETTING AGENTS AND COMPATABILITY AGENTS IN AGRICULTURAL COMPOSITIONS AKZO NOBEL N.V. (NL) 2006-02-23 WO disclosed