SCHEMBL6465591

SCHEMBL6465591

CCCCC(Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)OC(=O)C(CCCC)Oc1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.42
POLB P06746 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 5/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL6459325 0.92 ALDH1A1 (0.42) ERN1POLBALDH1A1TDP1CYSLTR2
SCHEMBL6237455 0.92 MAPT (0.42) ERN1POLBALDH1A1TDP1CYSLTR2
SCHEMBL6233340 0.90 ERN1 (0.43) ERN1POLBALDH1A1TDP1CYSLTR2
SCHEMBL6465588 0.90 ERN1 (0.43) ERN1POLBALDH1A1TDP1CYSLTR2
SCHEMBL7643417 0.89 ERN1 (0.38) ERN1POLBALDH1A1TDP1CYSLTR2
SCHEMBL2562538 0.79 ERN1 (0.46) ERN1POLBALDH1A1TDP1MAPT
SCHEMBL31327257 0.77 MAPT (0.55) ERN1ALDH1A1TDP1CYSLTR2CYSLTR1
SCHEMBL28825735 0.77 MAPT (0.55) ERN1ALDH1A1TDP1CYSLTR2CYSLTR1
SCHEMBL15331896 0.75 ERN1 (0.49) ERN1POLBALDH1A1TDP1LMNA
SCHEMBL9480938 0.74 CYP19A1 (0.57) ERN1ALDH1A1CYSLTR2CYSLTR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855842-B1 Intermediates for making a bezofuran or benzothiophene derivative nitrated in position 5 and uses thereof RHODIA CHIMIE (FR) 2005-02-15 US disclosed