SCHEMBL48272

SCHEMBL48272

CCc1c(C)cc(C)cc1OC(=O)Oc1cc(C)cc(C)c1CC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ELANE P08246 4/20 0.35
NLRP3 Q96P20 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 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
SCHEMBL10752454 0.87 ELANE (0.42) ALDH1A1SMN1; SMN2KDM4EELANEHTT
SCHEMBL48273 0.87 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4ENLRP3HTT
SCHEMBL10755095 0.76 ACHE (0.48) SMN1; SMN2KDM4EMAPT
SCHEMBL18058935 0.75 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL48019 0.74 PTPN1 (0.41) SMN1; SMN2KDM4EELANEMEN1KMT2A
SCHEMBL6894114 0.73 MAPT (0.44) ALDH1A1SMN1; SMN2KDM4EELANENLRP3
SCHEMBL327084 0.72 HRH3 (0.41) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL11717471 0.71 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KDM4EHTTMEN1
SCHEMBL982413 0.70 NCEH1 (0.40) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL1841424 0.70 MEN1 (0.32) ALDH1A1SMN1; SMN2HTTMEN1KMT2A

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