SCHEMBL8891384

SCHEMBL8891384

CC(C)(C)OC(=O)NCCCCN(CCCN)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CA1 P00915 9/20 0.47
CA2 P00918 9/20 0.47
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
CA14 Q9ULX7 1/20 0.43
DRD2 P14416 3/20 0.42
PAOX Q6QHF9 2/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL8891160 0.97 TDP1 (0.59) TDP1MAOAMAOBMEN1GAA
SCHEMBL12808793 0.97 TDP1 (0.59) TDP1MAOAMAOBMEN1GAA
SCHEMBL7414603 0.97 TDP1 (0.58) TDP1MAOAMAOBMEN1GAA
SCHEMBL15613415 0.97 TDP1 (0.58) TDP1MAOAMAOBMEN1GAA
SCHEMBL13399506 0.95 TDP1 (0.58) TDP1MAOAMAOBMEN1GAA
SCHEMBL8891833 0.95 TDP1 (0.62) TDP1MAOAMAOBMEN1GAA
SCHEMBL13399612 0.95 TDP1 (0.58) TDP1MAOAMAOBMEN1GAA
SCHEMBL13399661 0.94 TDP1 (0.56) TDP1MAOAMAOBMEN1GAA
SCHEMBL13399428 0.94 TDP1 (0.56) TDP1MAOAMAOBMEN1GAA
SCHEMBL8891277 0.94 TDP1 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997027179-A2 ANTIRETROVIRAL BASES NOVARTIS AG (CH) 1997-07-31 WO disclosed