SCHEMBL5362791

SCHEMBL5362791

CC(C)(C)OC(=O)NCCCCC(=O)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.59
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CA12 O43570 5/20 0.47
CA9 Q16790 5/20 0.47
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
BRD4 O60885 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL6200587 0.89 MGLL (0.62) MGLLCA1CA2CA12CA9
SCHEMBL1389312 0.88 MGLL (0.75) MGLLCA1CA2CA12CA9
SCHEMBL18359784 0.88 MGLL (0.75) MGLLCA1CA2CA12CA9
SCHEMBL14907653 0.87 MGLL (0.72) MGLLCA1CA2CA12CA9
SCHEMBL14907652 0.84 MGLL (0.67) MGLLCA1CA2CA12CA9
SCHEMBL25987718 0.83 CA12 (0.67) MGLLCA1CA2CA12CA9
SCHEMBL9228347 0.83 BCL9 (0.59) MGLLCA1CA2CA12CA9
SCHEMBL12077169 0.82 MGLL (0.60) MGLLCA1CA2CA12CA9
SCHEMBL6183257 0.82 CA12 (0.66) MGLLCA1CA2CA12CA9
SCHEMBL16107573 0.82 MGLL (0.58) MGLLCA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867633-A1 Polyamine analogues as therapeutic and diagnostic agents MediQuest Therapeutics, Inc. (US) 2007-12-19 EP disclosed
US-7208528-B1 Polyamine analogues as therapeutic and diagnostic agents MEDIQUEST THERAPEUTICS, INC. (US) 2007-04-24 US disclosed
US-7160923-B1 Polyamine analogues as therapeutic and diagnostic agents MEDIQUEST THERAPEUTICS, INC. (US) 2007-01-09 US disclosed
EP-1085011-A1 Novel polyamine analogues as therapeutic and diagnostic agents ORIDIGM CORPORATION (US) 2001-03-21 EP disclosed
US-6172261-B1 BIOSYNTHESIS USING CHAIN EXTENSION ORIDIGM CORPORATION 2001-01-09 US disclosed
EP-1001927-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999003823-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 1999-01-28 WO disclosed