SCHEMBL47831

SCHEMBL47831

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.44
RARB P10826 2/20 0.44
RARG P13631 2/20 0.44
ALDH1A1 P00352 9/20 0.44
AOX1 Q06278 1/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
TRIM24 O15164 1/20 0.40
HPGD P15428 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
TTR P02766 1/20 0.39
FDPS P14324 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 1.00 RARA (0.44) RARARARBRARGALDH1A1AOX1
SCHEMBL47830 0.89 ALDH1A1 (0.45) RARARARBRARGALDH1A1AOX1
SCHEMBL47977 0.86 RARA (0.43) RARARARBRARGALDH1A1TDP1
SCHEMBL28954253 0.86 ALDH1A1 (0.46) RARARARBRARGALDH1A1AOX1
SCHEMBL1547486 0.80 ALDH1A1 (0.63) RARARARBRARGALDH1A1AOX1
SCHEMBL7195683 0.79 ALDH1A1 (0.52) ALDH1A1AOX1TSHRTDP1TRIM24
SCHEMBL29551930 0.78 APEX1 (0.50) RARARARBRARGALDH1A1TDP1
SCHEMBL3982876 0.77 PTGDR2 (0.65) RARARARBRARGALDH1A1TDP1
SCHEMBL6552898 0.77 ALDH1A1 (0.70) ALDH1A1AOX1TSHRPOLBTDP1
SCHEMBL15563141 0.76 ALDH1A1 (0.44) RARARARBRARGALDH1A1AOX1

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