SCHEMBL9541981

SCHEMBL9541981

COCCOCCOCCN(OCc1ccccc1)C(=O)CCC(=O)NCCCCCN(OCc1ccccc1)C(=O)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
EPOR P19235 7/20 0.45
L3MBTL1 Q9Y468 5/20 0.42
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
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
SCHEMBL9437265 0.94 LMNA (0.45) LMNAKDM4EEPORL3MBTL1HPGD
SCHEMBL9437271 0.94 LMNA (0.47) LMNAKDM4EEPORL3MBTL1HPGD
SCHEMBL9437264 0.92 LMNA (0.43) LMNAKDM4EEPORL3MBTL1HPGD
SCHEMBL9541992 0.90 LMNA (0.45) LMNAKDM4EEPORL3MBTL1HPGD
SCHEMBL9437275 0.89 L3MBTL1 (0.59) LMNAKDM4EEPORL3MBTL1HPGD
SCHEMBL9553247 0.89 L3MBTL1 (0.59) LMNAKDM4EEPORL3MBTL1HPGD
SCHEMBL9542759 0.87 L3MBTL1 (0.42) LMNAL3MBTL1
SCHEMBL23502347 0.83 HTT (0.50) EPORL3MBTL1HDAC1HDAC2HDAC8
SCHEMBL8863668 0.82 L3MBTL1 (0.50) EPORL3MBTL1HTT
SCHEMBL9437255 0.82 EPOR (0.46) LMNAEPORL3MBTL1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254724-A Method for synthesis of desferrioxamine B, analogs and homologs thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1993-10-19 US disclosed
WO-1993009088-A1 IMPROVED METHOD FOR SYNTHESIS OF DESFERRIOXAMINE B, ANALOGS AND HOMOLOGS THEREOF UNIVERSITY OF FLORIDA (US) 1993-05-13 WO disclosed