SCHEMBL873719

SCHEMBL873719

N#CCC(=O)NCCCCc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.49
ACACB O00763 1/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LTA4H P09960 1/20 0.47
EPHX2 P34913 4/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
KMT2A Q03164 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
SCHEMBL873481 0.91 HRH3 (0.51) LTA4HEPHX2HRH3
SCHEMBL5306939 0.78 HDAC1 (0.57) POLBACACBGAASMN1; SMN2LTA4H
SCHEMBL23928240 0.77 LTA4H (0.60) POLBACACBGAASMN1; SMN2LTA4H
SCHEMBL874067 0.77 HRH3 (0.50) POLBMAPK1SMN1; SMN2LTA4HHRH3
SCHEMBL4860911 0.76 HRH3 (0.58) MAPK1SMN1; SMN2EPHX2KDM4EALDH1A1
SCHEMBL11757768 0.75 SMN1; SMN2 (0.62) GAASMN1; SMN2KDM4EALDH1A1HRH3
SCHEMBL873835 0.75 KMT2A (0.47) POLBSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL873597 0.75 POLB (0.47) POLBACACBKMT2A
SCHEMBL873884 0.75 ACACB (0.45) ACACBGAALTA4HALDH1A1
SCHEMBL874244 0.75 KMT2A (0.54) MAPK1GAAKDM4EALDH1A1KMT2A

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-3055310-A1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of The University of Michigan (US) 2016-08-17 EP disclosed
WO-2015054555-A1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-04-16 WO disclosed
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