SCHEMBL7303091

SCHEMBL7303091

CC(C)(C)OC(=O)NNCCCCCN

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
PAOX Q6QHF9 4/20 0.43
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
APLNR P35414 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CTSK P43235 1/20 0.33

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
SCHEMBL4083189 0.85 APLNR (0.42) TDP1MAOAMAOBCA12CA1
SCHEMBL27807201 0.84 TDP1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL27842062 0.84 TDP1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL7192070 0.84 TDP1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL27647767 0.84 TDP1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL27807196 0.84 TDP1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL27919778 0.84 TDP1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL27938329 0.84 TDP1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL5866373 0.82 TDP1 (0.71) TDP1MAOAMAOBCA12CA1
SCHEMBL220281 0.82 TDP1 (0.71) TDP1MAOAMAOBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816378-B1 Glycopeptide antibiotic amide derivatives LILLY CO ELI (US) 2002-04-10 EP disclosed
US-5919756-A CHLORORIENTICIN A ANTIBIOTIC ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
EP-0816378-A1 Glycopeptide antibiotic amide derivatives ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed