SCHEMBL47786

SCHEMBL47786

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
GPR35 Q9HC97 1/20 0.37
COMT P21964 2/20 0.36
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
VCAM1 P19320 4/20 0.35
HPGD P15428 3/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.34
TPMT P51580 1/20 0.34
LMNA P02545 1/20 0.34
RAF1 P04049 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
PAX8 Q06710 1/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 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
SCHEMBL47783 0.90 TSHR (0.39) TSHRGPR35COMTALDH1A1CYP1A2
SCHEMBL11034542 0.75 VCAM1 (0.50) GPR35ALDH1A1VCAM1HPGDGAA
SCHEMBL10541222 0.74 ALDH1A1 (0.46) TSHRGPR35COMTALDH1A1CYP1A2
SCHEMBL6690124 0.71 SMN1; SMN2 (0.36) ALDH1A1CYP1A2CYP2D6CYP2C19VCAM1
SCHEMBL11317654 0.70 TSHR (0.40) TSHRGPR35ALDH1A1CYP1A2VCAM1
SCHEMBL5579130 0.69 TSHR (0.75) TSHRGPR35ALDH1A1VCAM1HPGD
SCHEMBL11049725 0.69 TSHR (0.50) TSHRGPR35ALDH1A1CYP1A2VCAM1
SCHEMBL10707864 0.69 GPR35 (0.58) TSHRGPR35ALDH1A1CYP1A2CYP2D6
SCHEMBL10801459 0.69 GPR35 (0.48) TSHRGPR35ALDH1A1VCAM1HPGD
SCHEMBL47787 0.69 TSHR (0.37) TSHRGPR35COMTALDH1A1VCAM1

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