SCHEMBL47840

SCHEMBL47840

Cc1cc(COC(=O)OCc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.46
ALOX15 P16050 1/20 0.46
MAOA P21397 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
MCL1 Q07820 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
OGG1 O15527 1/20 0.41
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.38
ABCB1 P08183 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NOD2 Q9HC29 1/20 0.38
LMNA P02545 1/20 0.38
S1PR4 O95977 1/20 0.38
BCL2L1 Q07817 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
SCHEMBL47841 0.86 MCL1 (0.46) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL8514642 0.76 CYP3A4 (0.50) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL28343448 0.69 KMT2A (0.47) CYP3A4HPGDL3MBTL1ALDH1A1POLB
SCHEMBL26781740 0.69 ALDH1A1 (0.53) CYP3A4ALDH1A1LMNAS1PR4MEN1
SCHEMBL27986390 0.69 MCL1 (0.44) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL2163978 0.69 L3MBTL1 (0.41) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL6646548 0.68 AGXT (0.52) ALDH1A1LMNAMAPT
SCHEMBL6646522 0.68 MEN1 (0.54) CYP3A4MAOAL3MBTL1ALDH1A1POLB
SCHEMBL1791163 0.68 IDO1 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL20182722 0.68 TACR1 (0.54) POLBKMT2ATACR1NPSR1

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