SCHEMBL1246019

SCHEMBL1246019

O=C(OC[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.69
ADRB1 P08588 6/20 0.69
ADRB3 P13945 6/20 0.69
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
ALOX5 P09917 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CES1 P23141 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.46
POLB P06746 1/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL1246020 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL1246010 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3KMT2AMEN1
Formic Acid SCHEMBL28823054 0.94 ADRB2 (0.63) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL1244738 0.85 KMT2A (0.57) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL1244737 0.85 KMT2A (0.57) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL4983780 0.85 ADRB2 (0.55) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL19206103 0.84 ADRB2 (0.57) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL8405253 0.84 ADRB2 (0.64) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL2336328 0.83 ADRB2 (0.71) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL11774862 0.82 ADRB2 (0.55) ADRB2ADRB1ADRB3KMT2AMEN1

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-2011012400-A2 NITRIC OXIDE RELEASING NAPROXEN NICOX S.A. (FR) 2011-02-03 WO disclosed
CN-1164574-C Phenoxypropylamine compounds ������ҩ��ʽ���� 2004-09-01 CN disclosed
CN-1378533-A Phenoxypropylamine compounds MITSUBISHI PHARMACEUTICAL CO L (JP) 2002-11-06 CN disclosed