SCHEMBL47830

SCHEMBL47830

CC(C)(C)c1cc(C=O)ccc1OC(=O)Oc1ccc(C=O)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.45
AOX1 Q06278 1/20 0.45
TSHR P16473 1/20 0.44
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
POLB P06746 1/20 0.42
TRIM24 O15164 1/20 0.41
HPGD P15428 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
FDPS P14324 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
JAK2 O60674 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 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
SCHEMBL33523797 0.89 RARA (0.44) ALDH1A1AOX1TSHRRARARARB
SCHEMBL47831 0.89 RARA (0.44) ALDH1A1AOX1TSHRRARARARB
SCHEMBL28954253 0.87 ALDH1A1 (0.46) ALDH1A1AOX1TSHRRARARARB
SCHEMBL47976 0.85 RARA (0.41) ALDH1A1RARARARBRARGTDP1
SCHEMBL1547486 0.81 ALDH1A1 (0.63) ALDH1A1AOX1TSHRRARARARB
SCHEMBL27752722 0.77 APEX1 (0.51) ALDH1A1RARARARBRARGHPGD
SCHEMBL9350213 0.77 ALDH1A3 (0.49) ALDH1A1AOX1TSHRRARARARB
SCHEMBL3982874 0.76 PTGDR2 (0.62) ALDH1A1RARARARBRARGTDP1
SCHEMBL11005310 0.76 ALDH1A1 (0.72) ALDH1A1AOX1TSHRPOLBTRIM24
SCHEMBL25307457 0.75 ALDH1A1 (0.55) ALDH1A1RARARARBRARGHPGD

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