SCHEMBL7202844

SCHEMBL7202844

CC(C)(C)OC(=O)N(CCCCN)CCCCCCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.54
HDAC6 Q9UBN7 3/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
ACHE P22303 1/20 0.40
CHRM2 P08172 1/20 0.39
PAOX Q6QHF9 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CPB2 Q96IY4 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLG P00747 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC6A2 P23975 1/20 0.33
RECQL P46063 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL7947788 1.00 CA14 (0.54) CA14HDAC6HDAC1HDAC2ACHE
SCHEMBL7207297 1.00 CA14 (0.54) CA14HDAC6HDAC1HDAC2ACHE
SCHEMBL7946683 0.98 CA14 (0.53) CA14HDAC6HDAC1HDAC2ACHE
SCHEMBL1274075 0.94 CA14 (0.55) CA14HDAC6HDAC1HDAC2ACHE
SCHEMBL24686951 0.93 CA14 (0.52) CA14HDAC6HDAC1HDAC2ACHE
SCHEMBL10226271 0.93 CA14 (0.49) CA14HDAC6HDAC1HDAC2ACHE
SCHEMBL1274108 0.93 CA14 (0.54) CA14HDAC6HDAC1HDAC2ACHE
SCHEMBL10226299 0.93 CA14 (0.54) CA14HDAC6HDAC1HDAC2ACHE
SCHEMBL10226292 0.93 CA14 (0.54) CA14HDAC6HDAC1HDAC2ACHE
SCHEMBL5460363 0.92 CA14 (0.53) CA14HDAC6HDAC1HDAC2ACHE

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 5 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
US-6022892-A Bis-platinum complexes with polyamine ligands as antitumor agents HOFFMAN-LA ROCHE INC. (US) 2000-02-08 US 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