SCHEMBL6465588

SCHEMBL6465588

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
POLB P06746 1/20 0.40
PTGES O14684 2/20 0.40
ALOX5 P09917 2/20 0.40
PPARG P37231 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.39
MMP1 P03956 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6233340 1.00 ERN1 (0.43) ERN1GAASMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL6465591 0.90 ERN1 (0.42) ERN1GAASMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL6237455 0.89 MAPT (0.42) ERN1SMN1; SMN2CYSLTR2CYSLTR1POLB
SCHEMBL6459325 0.89 ALDH1A1 (0.42) ERN1GAASMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL7643417 0.85 ERN1 (0.38) ERN1GAASMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL14707709 0.82 PPARG (0.44) GAASMN1; SMN2PTGESALOX5PPARG
SCHEMBL2330339 0.81 PPARA (0.44) PTGESALOX5PPARGALDH1A1MAPT
SCHEMBL2547539 0.81 PTGDR2 (0.51) ERN1SMN1; SMN2CYSLTR2CYSLTR1POLB
SCHEMBL2562538 0.80 ERN1 (0.46) ERN1POLBALDH1A1MAPTCYP2D6
SCHEMBL15332076 0.79 ERN1 (0.50) ERN1SMN1; SMN2ALDH1A1LMNAMAPT

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