SCHEMBL47844

SCHEMBL47844

Cc1cc(C)c(OC(=O)Oc2c(C)cc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.52
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 5/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TPMT P51580 1/20 0.40
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CCR6 P51684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38

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
SCHEMBL359733 0.80 GPR35 (0.52) GPR35ALDH1A1GAAHPGDTSHR
SCHEMBL15509359 0.79 RAPGEF4 (0.40) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL16577793 0.77 GPR35 (0.49) GPR35ALDH1A1GAAHPGDTSHR
SCHEMBL16577765 0.76 GPR35 (0.47) GPR35ALDH1A1GAAHPGDTSHR
SCHEMBL30460084 0.75 ALDH1A1 (0.57) GPR35ALDH1A1HPGDTSHRCYP3A4
SCHEMBL619394 0.75 ALDH1A1 (0.57) GPR35ALDH1A1HPGDTSHRCYP3A4
SCHEMBL1221505 0.74 TDP1 (0.54) GPR35ALDH1A1HPGDTSHRCYP3A4
SCHEMBL4653538 0.74 GPR35 (0.57) GPR35ALDH1A1TSHRCYP3A4MAPT
SCHEMBL9243462 0.73 ALDH1A1 (0.56) GPR35ALDH1A1HPGDTSHRMAPT
SCHEMBL27796733 0.73 TDP1 (0.53) GPR35ALDH1A1GAAHPGDTSHR

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