SCHEMBL9073845

SCHEMBL9073845

CC(C)(C)OC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)CC(OCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ SYK P43405 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ACE P12821 1/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HDAC3 O15379 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
SCHEMBL17786967 0.82 SYK (0.51) L3MBTL1MAPTPOLBMAPK1SIGMAR1
SCHEMBL17786969 0.82 SYK (0.51) L3MBTL1MAPTPOLBMAPK1SIGMAR1
SCHEMBL9437268 0.80 LMNA (0.50) L3MBTL1KMT2AMEN1ALDH1A1HPGD
SCHEMBL17599919 0.79 CYP3A4 (0.59) CYP3A4L3MBTL1MAPTPOLBMAPK1
SCHEMBL2598790 0.79 SYK (0.59) L3MBTL1MAPTKMT2AMEN1CA1
SCHEMBL13334305 0.79 MAPT (0.55) CYP3A4L3MBTL1MAPTPOLBMAPK1
SCHEMBL4889499 0.78 CA1 (0.65) CYP3A4L3MBTL1SIGMAR1CA1CA2
SCHEMBL5057110 0.78 CYP3A4 (0.58) CYP3A4L3MBTL1MAPTPOLBMAPK1
SCHEMBL15679441 0.78 MAPT (0.64) CYP3A4L3MBTL1MAPTPOLBMAPK1
SCHEMBL13090607 0.78 MAPT (0.64) CYP3A4L3MBTL1MAPTPOLBMAPK1

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
US-5493053-A Method for preparing desferrioxamine B and homologs thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1996-02-20 — — US disclosed
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