SCHEMBL47848

SCHEMBL47848

O=C(O)OCc1c(Cl)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
FBP1 P09467 1/20 0.40
VCAM1 P19320 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
PKM P14618 1/20 0.36
TTR P02766 1/20 0.36
POLB P06746 1/20 0.36
APP P05067 1/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL47847 1.00 TSHR (0.41) TSHRMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL47846 0.91 TSHR (0.43) TSHRMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL23831772 0.81 FBP1 (0.47) TSHRMAPK1ALDH1A1FBP1VCAM1
SCHEMBL7644539 0.77 TSHR (0.39) TSHRMAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL30105031 0.75 MEN1 (0.42) MAPTMAPK1L3MBTL1ALDH1A1VCAM1
SCHEMBL7643608 0.74 TSHR (0.46) TSHRMAPTMAPK1ALDH1A1FBP1
SCHEMBL49020 0.72 MAPT (0.49) TSHRMAPTMAPK1ALDH1A1MEN1
SCHEMBL49019 0.72 MAPT (0.49) TSHRMAPTMAPK1ALDH1A1MEN1
SCHEMBL4068107 0.70 CA1 (0.50) TSHRMAPK1L3MBTL1ALDH1A1FBP1
SCHEMBL11583788 0.70 TDP1 (0.46) TSHRMAPK1ALDH1A1FBP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149586-B1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL CO (JP) 2018-01-03 EP disclosed
US-8128782-B2 Amine epoxy resin curing agent, gas barrier epoxy resin composition comprising the curing agent, coating agent, and adhesive agent for laminate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-03-06 US disclosed
US-20100160494-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2010-06-24 US disclosed
EP-2149586-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE Mitsubishi Gas Chemical Company, Inc. (JP) 2010-02-03 EP disclosed
US-4031249-A TREMATODES, NEMATODES, FASCIOLA SP ICI AUSTRALIA LIMITED (AU) 1977-06-21 US disclosed