SCHEMBL8864050

SCHEMBL8864050

CC(C)(C)OC(=O)NCCCCCN(OCc1ccccc1)C(=O)CCC(=O)NCCCCCNOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
CYP3A4 P08684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL8864179 1.00 L3MBTL1 (0.48) L3MBTL1CYP3A4NPSR1SIGMAR1IDO1
SCHEMBL8863668 0.92 L3MBTL1 (0.50) L3MBTL1CYP3A4NPSR1SIGMAR1
SCHEMBL8863624 0.91 L3MBTL1 (0.49) L3MBTL1CYP3A4NPSR1SIGMAR1
SCHEMBL8863589 0.88 L3MBTL1 (0.53) L3MBTL1CYP3A4NPSR1SIGMAR1
SCHEMBL21023138 0.85 L3MBTL1 (0.50) L3MBTL1CYP3A4NPSR1SIGMAR1IDO1
SCHEMBL9544416 0.83 HDAC1 (0.40) L3MBTL1
SCHEMBL9437259 0.83 HDAC1 (0.40) L3MBTL1
SCHEMBL8863692 0.83 NPSR1 (0.54) L3MBTL1CYP3A4NPSR1SIGMAR1IDO1
SCHEMBL9437264 0.83 LMNA (0.43) L3MBTL1
SCHEMBL16471969 0.81 L3MBTL1 (0.57) L3MBTL1CYP3A4NPSR1IDO1

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
EP-0799192-A1 METHOD FOR PREPARING DESFERRIOXAMINE B AND HOMOLOGS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1997-10-08 EP disclosed
US-5493053-A Method for preparing desferrioxamine B and homologs thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1996-02-20 US disclosed