SCHEMBL70054

SCHEMBL70054

O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.58
CES2 O00748 2/20 0.54
MAPT P10636 7/20 0.53
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
LMNA P02545 3/20 0.51
ALOX12 P18054 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 1/20 0.50
EPHX2 P34913 1/20 0.50
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
THRB P10828 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL28740633 0.93 MEN1 (0.54) ALOX5CES2MAPTKDM4EL3MBTL1
Ammonia Solution, Strong SCHEMBL27995845 0.89 CES2 (0.58) ALOX5CES2MAPTKDM4EL3MBTL1
SCHEMBL19320489 0.87 HGFAC (0.51) ALOX5CES2MAPTKDM4EL3MBTL1
SCHEMBL28982636 0.87 ALOX5 (0.57) ALOX5CES2MAPTKDM4EMEN1
SCHEMBL21874931 0.86 GAA (0.61) ALOX5MAPTKDM4EL3MBTL1NPSR1
SCHEMBL10346168 0.84 HPN (0.55) ALOX5CES2MAPTKDM4EL3MBTL1
SCHEMBL17165000 0.83 MAPT (0.68) ALOX5MAPTKDM4EL3MBTL1NPSR1
SCHEMBL20591948 0.81 KMT2A (0.53) ALOX5CES2MAPTKDM4EMEN1
SCHEMBL427368 0.81 ALDH1A1 (0.55) CES2MAPTMEN1KMT2APOLB
SCHEMBL1220299 0.81 ALDH1A1 (0.55) CES2MAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3128838-B1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION AGRA GROUP AS (CZ) 2020-04-29 EP disclosed
EP-3128838-A1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION Agra Group, A.S. (CZ) 2017-02-15 EP disclosed
WO-2015154732-A1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION AGRA GROUP A.S. (CZ) 2015-10-15 WO disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed