SCHEMBL874146

SCHEMBL874146

CCCCc1ccc(OCCN(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.74
KEAP1 Q14145 1/20 0.62
NFE2L2 Q16236 1/20 0.62
LTA4H P09960 2/20 0.58
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KCNH2 Q12809 1/20 0.53
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
KMT2A Q03164 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50

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
SCHEMBL28595265 0.93 HRH3 (0.70) HRH3KEAP1NFE2L2LTA4HALDH1A1
Hydrochloric Acid SCHEMBL9735260 0.90 HRH3 (0.72) HRH3KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL3055382 0.89 HRH3 (0.83) HRH3KEAP1NFE2L2LTA4HALDH1A1
SCHEMBL4547156 0.89 HRH3 (0.79) HRH3KEAP1NFE2L2LTA4HALDH1A1
SCHEMBL16933991 0.87 LMNA (0.62) HRH3LTA4HALDH1A1KDM4ESMN1; SMN2
SCHEMBL2554940 0.85 HRH3 (0.72) HRH3KEAP1NFE2L2LTA4HALDH1A1
SCHEMBL873540 0.85 CYP1A2 (0.62) HRH3LTA4HKCNH2ESR1ESR2
SCHEMBL12051786 0.85 ALDH1A1 (0.70) HRH3KEAP1NFE2L2LTA4HALDH1A1
SCHEMBL12844521 0.84 HRH3 (0.80) HRH3KEAP1NFE2L2LTA4HALDH1A1
SCHEMBL6081922 0.84 HRH3 (0.54) HRH3KEAP1NFE2L2LTA4HALDH1A1

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