SCHEMBL4891409

SCHEMBL4891409

O=[N+]([O-])OCCN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.45
PTGS2 P35354 3/20 0.45
PTGS1 P23219 2/20 0.45
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 5/20 0.41
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
KCNH2 Q12809 1/20 0.37
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL9799773 0.98 ALDH1A1 (0.44) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL20377303 0.82 KDM4E (0.47) LTA4HALDH1A1KDM4ETDP1MMP2
SCHEMBL14607652 0.82 MMP2 (0.39) ALDH1A1KDM4ETDP1MMP2MMP9
SCHEMBL10637940 0.82 CYP1A2 (0.46) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL14607630 0.79 GNAI3 (0.38) LTA4HALDH1A1HRH3MMP2MMP9
SCHEMBL14573960 0.77 MMP2 (0.37) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL14573946 0.77 MMP2 (0.37) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL2802284 0.76 MMP2 (0.36) ALDH1A1KDM4ETDP1MMP2MMP9
SCHEMBL14571793 0.76 MMP2 (0.36) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL4594077 0.76 KDM4E (0.39) ALDH1A1KDM4ETDP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080223785-A1 Ionic Polymer Membranes MILLER JEFFREY T 2008-09-18 US disclosed
EP-1784250-A2 IONIC POLYMER MEMBRANES BP Corporation North America Inc. (US) 2007-05-16 EP disclosed
WO-2006028529-A2 IONIC POLYMER MEMBRANES BP CORPORATION NORTH AMERICA INC. (US) 2006-03-16 WO disclosed
US-20060049102-A1 Ionic polymer membranes BP CORPORATION NORTH AMERICA INC. 2006-03-09 US disclosed