SCHEMBL47785

SCHEMBL47785

O=C(OCCc1c(Cl)cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-])OCCc1c(Cl)cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GPR35 Q9HC97 2/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
VCAM1 P19320 2/20 0.35
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HIF1A Q16665 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
PLA2G1B P04054 1/20 0.33
MAPT P10636 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
COMT P21964 1/20 0.33
S1PR4 O95977 1/20 0.33

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
SCHEMBL47787 0.90 TSHR (0.37) TSHRALDH1A1GPR35KMT2AMEN1
SCHEMBL47784 0.90 TSHR (0.37) TSHRALDH1A1GPR35KMT2AMEN1
SCHEMBL11034541 0.75 VCAM1 (0.50) TSHRALDH1A1KMT2AMEN1MAPK1
SCHEMBL7644539 0.73 TSHR (0.39) TSHRALDH1A1KMT2AMEN1MAPK1
SCHEMBL5579130 0.69 TSHR (0.75) TSHRALDH1A1GPR35MAPK1VCAM1
SCHEMBL47800 0.69 MAPT (0.37) TSHRALDH1A1KMT2AMEN1MAPK1
SCHEMBL28177204 0.69 GPR35 (0.50) TSHRALDH1A1GPR35MAPK1VCAM1
SCHEMBL47846 0.69 TSHR (0.43) TSHRALDH1A1GPR35KMT2AMEN1
SCHEMBL10707864 0.69 GPR35 (0.58) TSHRALDH1A1GPR35KMT2AMEN1
SCHEMBL47783 0.68 TSHR (0.39) TSHRALDH1A1GPR35MAPK1VCAM1

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
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