SCHEMBL7207211

SCHEMBL7207211

CC(C)(C)OC(=O)C(N)(CNCCCCCNCCN)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
PAOX Q6QHF9 3/20 0.41
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.35
DGAT1 O75907 1/20 0.35
CA12 O43570 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
CA4 P22748 3/20 0.34
CA6 P23280 3/20 0.34
CA5A P35218 3/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA5B Q9Y2D0 3/20 0.34
CA3 P07451 2/20 0.34
F13A1 P00488 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 2/20 0.33

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
SCHEMBL7207371 0.93 TDP1 (0.38) MAOAMAOBPAOXTDP1HDAC6
SCHEMBL7204452 0.84 PAOX (0.42) MAOAMAOBPAOXTDP1HDAC6
SCHEMBL7209803 0.84 PAOX (0.42) MAOAMAOBPAOXTDP1HDAC6
SCHEMBL7204574 0.84 PAOX (0.42) MAOAMAOBPAOXTDP1HDAC6
SCHEMBL7203559 0.84 PAOX (0.42) MAOAMAOBPAOXTDP1HDAC6
SCHEMBL7205258 0.84 PAOX (0.42) MAOAMAOBPAOXTDP1HDAC6
SCHEMBL5928869 0.83 PAOX (0.44) MAOAMAOBPAOXTDP1HDAC6
SCHEMBL8933100 0.77 MAOA (0.41) MAOAMAOBPAOXTDP1HDAC6
SCHEMBL9831022 0.77 PAOX (0.51) MAOAMAOBPAOXTDP1HDAC6
SCHEMBL13731881 0.76 DGAT1 (0.39) MAOAMAOBPAOXTDP1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912584-B1 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS HOFFMANN LA ROCHE (CH) 2002-12-18 EP disclosed
EP-0912584-A2 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1999-05-06 EP disclosed
WO-1998003519-A9 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS 1998-07-16 WO disclosed
WO-1998003519-A2 NEW BIS-PLATINUM COMPLEXES WITH POLYAMINE LIGANDS AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-01-29 WO disclosed