SCHEMBL13399396

SCHEMBL13399396

CC(C)(C)OC(=O)NCCCCCCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)O)CCC(=O)O)CCC(=O)NCCN(CCC(=O)O)CCC(=O)O)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)O)CCC(=O)O)CCC(=O)NCCN(CCC(=O)O)CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MMP9 P14780 2/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP7 P09237 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 3/20 0.44
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
CYP3A4 P08684 1/20 0.42
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39

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
SCHEMBL14498248 0.93 MMP9 (0.47) TDP1MMP9MMP1MMP2MMP7
SCHEMBL5019130 0.86 MEN1 (0.49) TDP1MMP9MMP1MMP2MMP7
SCHEMBL29262528 0.86 TDP1 (0.55) TDP1MAOAMAOBMEN1GAA
SCHEMBL26049440 0.86 TDP1 (0.58) TDP1MAOAMAOBMEN1GAA
SCHEMBL3617075 0.86 MEN1 (0.50) TDP1MMP9MMP1MMP2MMP7
SCHEMBL28974610 0.85 TDP1 (0.58) TDP1MAOAMAOBMEN1GAA
SCHEMBL29262491 0.85 MEN1 (0.50) TDP1MMP9MAOAMAOBMEN1
SCHEMBL27296655 0.83 TDP1 (0.66) TDP1MAOAMAOBMEN1GAA
SCHEMBL23616304 0.82 TDP1 (0.61) TDP1MAOAMAOBMEN1GAA
SCHEMBL3288412 0.82 TDP1 (0.61) TDP1MAOAMAOBMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9389227-B2 Solid substrate comprising array of dendrons and methods for using the same POSCO (KR) 2016-07-12 US disclosed
US-9389227-B2 Solid substrate comprising array of dendrons and methods for using the same POSCO (KR) 2016-07-12 US disclosed
US-9201067-B2 Size-controlled macromolecule POSCO (KR) 2015-12-01 US disclosed
US-9201067-B2 Size-controlled macromolecule POSCO (KR) 2015-12-01 US disclosed
US-9175335-B2 Biomolecule interaction using atomic force microscope POSCO (KR) 2015-11-03 US disclosed
US-20140315319-A1 BIOMOLECULE INTERACTION USING ATOMIC FORCE MICROSCOPE POSCO (KR) 2014-10-23 US disclosed
US-8673621-B2 Biomolecule interaction using atomic force microscope POSTECH FOUNDATION (KR) 2014-03-18 US disclosed
US-8673621-B2 Biomolecule interaction using atomic force microscope POSTECH FOUNDATION (KR) 2014-03-18 US disclosed
US-20100093553-A1 Solid Substrate Comprising Array of Dendrons and Methods for Using the Same PARK JOON WON 2010-04-15 US disclosed
US-20100093553-A1 Solid Substrate Comprising Array of Dendrons and Methods for Using the Same PARK JOON WON 2010-04-15 US disclosed
US-20080113353-A1 Cantilevers with fixed end and free end modified by dendron POSTECH FOUNDATION (KR) 2008-05-15 US disclosed
US-20080113353-A1 Cantilevers with fixed end and free end modified by dendron POSTECH FOUNDATION (KR) 2008-05-15 US disclosed