SCHEMBL9764488

SCHEMBL9764488

CC(C)(C)OC(=O)NCCCCCC(=O)OC(=O)CCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
CA12 O43570 5/20 0.54
CA9 Q16790 5/20 0.54
CYP3A4 P08684 1/20 0.48
EPHX2 P34913 1/20 0.48
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44

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
SCHEMBL9727403 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1GAA
SCHEMBL8877682 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1GAA
SCHEMBL9727547 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1GAA
SCHEMBL29105238 0.98 TDP1 (0.65) TDP1MAOAMAOBMEN1GAA
SCHEMBL9727555 0.94 TDP1 (0.59) TDP1MAOAMAOBMEN1GAA
SCHEMBL8870596 0.94 TDP1 (0.59) TDP1MAOAMAOBMEN1GAA
SCHEMBL9727412 0.94 TDP1 (0.59) TDP1MAOAMAOBMEN1GAA
SCHEMBL9764492 0.94 TDP1 (0.59) TDP1MAOAMAOBMEN1GAA
SCHEMBL23477276 0.93 TDP1 (0.61) TDP1MAOAMAOBMEN1GAA
SCHEMBL25942884 0.91 TDP1 (0.69) 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
US-4987237-A Derivatives of monophosphoryl lipid A RIBI IMMUNOCHEM RESEARCH, INC. (US) 1991-01-22 US disclosed