SCHEMBL876980

SCHEMBL876980

CCCCc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.75
HRH3 Q9Y5N1 13/20 0.70
TSHR P16473 1/20 0.66
PSMB1 P20618 1/20 0.65
PSMB5 P28074 1/20 0.65
PSMB2 P49721 1/20 0.65

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
SCHEMBL492409 0.93 HRH3 (0.83) LTA4HHRH3TSHR
SCHEMBL19043080 0.92 HRH3 (0.77) LTA4HHRH3TSHR
SCHEMBL17636032 0.91 HRH3 (0.71) LTA4HHRH3TSHRPSMB1PSMB5
SCHEMBL10896960 0.91 LTA4H (0.72) LTA4HHRH3TSHRPSMB1PSMB5
SCHEMBL10899705 0.89 HRH3 (0.72) LTA4HHRH3TSHRPSMB1PSMB5
SCHEMBL10895401 0.89 HRH3 (0.72) LTA4HHRH3TSHRPSMB1PSMB5
SCHEMBL13492993 0.88 LTA4H (0.76) LTA4HHRH3TSHR
SCHEMBL873542 0.87 ALDH1A1 (0.74) LTA4HHRH3TSHR
SCHEMBL9035011 0.87 HRH3 (0.78) HRH3TSHR
SCHEMBL491770 0.85 HRH3 (0.82) HRH3TSHR

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