SCHEMBL47783

SCHEMBL47783

CC(OC(=O)OC(C)c1c(Cl)cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-])c1c(Cl)cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
GPR35 Q9HC97 2/20 0.38
COMT P21964 2/20 0.37
VCAM1 P19320 3/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
RAF1 P04049 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 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
SCHEMBL47786 0.90 TSHR (0.38) TSHRGPR35COMTVCAM1ALDH1A1
SCHEMBL11034537 0.74 VCAM1 (0.51) GPR35VCAM1ALDH1A1HPGDGAA
SCHEMBL10541222 0.72 ALDH1A1 (0.46) TSHRGPR35COMTALDH1A1HPGD
SCHEMBL11317654 0.71 TSHR (0.40) TSHRGPR35VCAM1ALDH1A1HPGD
SCHEMBL5579130 0.70 TSHR (0.75) TSHRGPR35VCAM1ALDH1A1HPGD
SCHEMBL47798 0.70 PDK1 (0.36) VCAM1ALDH1A1HPGDGAALMNA
SCHEMBL11049725 0.70 TSHR (0.50) TSHRGPR35VCAM1ALDH1A1HPGD
SCHEMBL10801459 0.70 GPR35 (0.48) TSHRGPR35VCAM1ALDH1A1HPGD
SCHEMBL10707864 0.70 GPR35 (0.58) TSHRGPR35VCAM1ALDH1A1HPGD
SCHEMBL8064653 0.69 PDGFRB (0.48) TSHRGPR35COMTVCAM1ALDH1A1

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