SCHEMBL3499473

SCHEMBL3499473

NC(=O)CCCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.56
▸ FTO Q9C0B1 9/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ SMAD3 P84022 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ PRMT1 Q99873 1/20 0.52
▸ ACE2 Q9BYF1 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ JAK2 O60674 1/20 0.51
▸ KCNH2 Q12809 2/20 0.48
▸ MMP14 P50281 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.46
▸ NAALAD2 Q9Y3Q0 1/20 0.45
▸ ITPR3 Q14573 1/20 0.42

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
SCHEMBL917141 0.92 ALB (0.58) ALBFTOMEN1MAPTHPGD
SCHEMBL20353152 0.89 FTO (0.55) ALBFTOMEN1MAPTHPGD
SCHEMBL31172568 0.89 ALB (0.55) ALBFTOMEN1MAPTHPGD
Isothiocyanate SCHEMBL27141128 0.87 ALB (0.54) ALBFTOMEN1MAPTHPGD
SCHEMBL24943573 0.87 FTO (0.57) ALBFTOMEN1MAPTHPGD
SCHEMBL24723090 0.87 FTO (0.51) ALBFTOMEN1MAPTHPGD
SCHEMBL19033488 0.87 FTO (0.60) ALBFTOMEN1MAPTHPGD
SCHEMBL16982918 0.87 FTO (0.60) ALBFTOMEN1MAPTHPGD
SCHEMBL14769917 0.86 ALB (0.57) ALBFTOMEN1MAPTHPGD
SCHEMBL21755733 0.86 ALB (0.58) ALBFTOMEN1MAPTHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931786-B1 ORF11 FROM CAMPYLOBACTER JEJUNI IS A SIALATE-O-ACETYLTRANSFERASE NAT RES COUNCIL CANADA (CA) 2015-05-27 — — EP disclosed
US-8771991-B2 SOAT polypeptide reaction mixture NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2014-07-08 — — US disclosed
US-20100167349-A1 ORF11 FROM CAMPYLOBACTER JEJUNI IS A SIALATE-O-ACETYLTRANSFERASE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2010-07-01 — — US disclosed
EP-1931786-A1 ORF11 FROM CAMPYLOBACTER JEJUNI IS A SIALATE-O-ACETYLTRANSFERASE National Research Council of Canada (CA) 2008-06-18 — — EP disclosed
WO-2007016792-A1 ORF11 FROM CAMPYLOBACTER JEJUNI IS A SIALATE-O-ACETYLTRANSFERASE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2007-02-15 — — WO disclosed
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