SCHEMBL47787

SCHEMBL47787

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
GPR35 Q9HC97 1/20 0.36
VCAM1 P19320 3/20 0.34
ALDH1A1 P00352 3/20 0.33
FBP1 P09467 2/20 0.33
GRIA2 P42262 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 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
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
COMT P21964 1/20 0.32

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
SCHEMBL47784 1.00 TSHR (0.37) TSHRGPR35VCAM1ALDH1A1FBP1
SCHEMBL47785 0.90 TSHR (0.38) TSHRGPR35VCAM1ALDH1A1CYP3A4
SCHEMBL11031955 0.75 VCAM1 (0.49) VCAM1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11034543 0.75 VCAM1 (0.49) VCAM1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL47799 0.70 GRIA2 (0.38) VCAM1ALDH1A1GRIA2SMN1; SMN2HIF1A
SCHEMBL47802 0.70 GRIA2 (0.38) VCAM1ALDH1A1GRIA2SMN1; SMN2HIF1A
SCHEMBL7644539 0.69 TSHR (0.39) TSHRVCAM1ALDH1A1FBP1CYP3A4
SCHEMBL47847 0.69 TSHR (0.41) TSHRGPR35VCAM1ALDH1A1FBP1
SCHEMBL47848 0.69 TSHR (0.41) TSHRGPR35VCAM1ALDH1A1FBP1
SCHEMBL5579130 0.69 TSHR (0.75) TSHRGPR35VCAM1ALDH1A1CYP3A4

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