SCHEMBL9063285

SCHEMBL9063285

CC(C)(C)OC(=O)NCCCCCCCCCCC(=O)NCCOCCOCCOCCN

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CYP3A4 P08684 1/20 0.47
CA1 P00915 10/20 0.46
CA2 P00918 10/20 0.46
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A5 Q9Y345 2/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL17039691 0.92 TDP1 (0.59) TDP1MAOAMAOBCYP3A4CA1
SCHEMBL26045261 0.91 CA1 (0.46) TDP1MAOAMAOBCYP3A4CA1
SCHEMBL16328105 0.90 TDP1 (0.44) TDP1MAOAMAOBCYP3A4CA1
SCHEMBL26032381 0.89 TDP1 (0.42) TDP1MAOAMAOBCA1CA2
SCHEMBL26032853 0.89 TDP1 (0.42) TDP1MAOAMAOBCA1CA2
SCHEMBL3147947 0.88 TDP1 (0.52) TDP1MAOAMAOBCYP3A4CA1
SCHEMBL26046033 0.88 TDP1 (0.46) TDP1MAOAMAOBCYP3A4CA1
SCHEMBL26045685 0.88 TDP1 (0.46) TDP1MAOAMAOBCYP3A4CA1
SCHEMBL24920308 0.88 TDP1 (0.48) TDP1MAOAMAOBCYP3A4CA1
SCHEMBL25835268 0.88 TDP1 (0.43) TDP1MAOAMAOBCYP3A4CA1

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-1996040273-A2 CONJUGATES OF FERRITES AND OLIGONUCLEOTIDES, WHICH BOND SPECIFICALLY TO CERTAIN TARGET STRUCTURES SCHERING AKTIENGESELLSCHAFT (DE) 1996-12-19 WO disclosed