SCHEMBL8535338

SCHEMBL8535338

[CH2]CCCC[CH]NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CA2 P00918 4/20 0.35
CA12 O43570 4/20 0.35
CA14 Q9ULX7 2/20 0.35
CTSK P43235 6/20 0.33
CA1 P00915 4/20 0.33
CA7 P43166 2/20 0.33
MAPK10 P53779 1/20 0.33
CA9 Q16790 2/20 0.32
APLNR P35414 1/20 0.32

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
SCHEMBL10744068 0.84 CTSK (0.40) TDP1CA12CA14CTSKCA1
SCHEMBL15824368 0.83 TDP1 (0.41) TDP1MAOAMAOBCA12CA14
SCHEMBL6611754 0.83 MAOA (0.40) TDP1MAOAMAOBMEN1GAA
SCHEMBL16929983 0.83 TDP1 (0.41) TDP1MAOAMAOBCA12CA14
SCHEMBL6611508 0.82 CTSK (0.41) TDP1MEN1GAAKMT2ACA12
SCHEMBL6608268 0.81 TDP1 (0.60) TDP1MAOAMAOBMEN1GAA
SCHEMBL7715671 0.79 TDP1 (0.49) TDP1MAOAMAOBMEN1GAA
SCHEMBL166206 0.78 CA1 (0.42) TDP1MEN1GAAKMT2ACA2
SCHEMBL4764608 0.76 CAPN1 (0.47) TDP1MAOAMAOBMEN1GAA
SCHEMBL166623 0.75 CA1 (0.42) TDP1MEN1GAAKMT2ACA2

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-0819133-A2 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES EPOCH PHARMACEUTICALS, INC. (US) 1998-01-21 EP disclosed
WO-1996032496-A2 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES MICROPROBE CORPORATION (US) 1996-10-17 WO disclosed