SCHEMBL4386922

SCHEMBL4386922

O=C(NNCCCCCCCCCCCCNNC(=O)c1ccccc1O)c1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.59
CA1 P00915 2/20 0.54
CA9 Q16790 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 2/20 0.53
MPO P05164 1/20 0.53
HIF1A Q16665 1/20 0.53
ALOX5 P09917 1/20 0.53
L1CAM P32004 1/20 0.51
NPC1 O15118 5/20 0.51
HTT P42858 4/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL6636469 0.92 NAAA (0.73) NAAACA1CA9HDAC3HDAC1
SCHEMBL8934416 0.90 NAAA (0.70) NAAACA1CA9HDAC3HDAC1
SCHEMBL6634756 0.88 HDAC3 (0.70) NAAACA1CA9HDAC3HDAC1
SCHEMBL4386920 0.87 NAAA (0.66) NAAACA1CA9HDAC3HDAC1
SCHEMBL259037 0.86 NAAA (0.47) NAAACA1CA9HDAC3HDAC1
SCHEMBL823552 0.81 NAAA (0.84) NAAAKDM4ESMN1; SMN2GAAMPO
SCHEMBL77381 0.80 CA1 (0.77) CA1CA9KDM4ESMN1; SMN2GAA
SCHEMBL6639039 0.80 CA1 (0.64) NAAACA1CA9KDM4ESMN1; SMN2
SCHEMBL29417865 0.77 L3MBTL1 (0.59) NAAACA1CA9KDM4ESMN1; SMN2
SCHEMBL29905822 0.77 CA1 (0.53) CA1CA9KDM4ESMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1449864-B1 CRYSTALLINE POLYGLYCOLIC ACID,POLYGLYCOLIC ACID COMPOSITION AND PROCESSES FOR PRODUCTION OF BOTH KUREHA CORP (JP) 2009-12-02 EP claimed