SCHEMBL873481

SCHEMBL873481

N#CCC(=O)NCCCCc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.51
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.48
ACHE P22303 3/20 0.47
PSMB1 P20618 2/20 0.47
PSMB5 P28074 2/20 0.47
PSMB2 P49721 2/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL873719 0.91 POLB (0.50) HRH3LTA4HEPHX2
SCHEMBL874067 0.79 HRH3 (0.50) HRH3LTA4HACHE
SCHEMBL873835 0.78 KMT2A (0.47)
SCHEMBL873597 0.78 POLB (0.47)
SCHEMBL15522527 0.78 HRH3 (0.58) HRH3LTA4HEPHX2PSMB1PSMB5
SCHEMBL873884 0.77 ACACB (0.45) LTA4HHTT
SCHEMBL23928153 0.76 LTA4H (0.64) HRH3LTA4HEPHX2PSMB1PSMB5
SCHEMBL874041 0.75 MAPK1 (0.39)
SCHEMBL23928236 0.75 LTA4H (0.63) HRH3LTA4HEPHX2PSMB1PSMB5
SCHEMBL23928172 0.75 LTA4H (0.63) HRH3LTA4HEPHX2PSMB1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619184-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of the University of Michigan (US) 2013-07-31 EP disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed