SCHEMBL873847

SCHEMBL873847

CC(=O)CCc1ccc(OCCN(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.68
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
LTA4H P09960 1/20 0.54
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HDAC3 O15379 1/20 0.52
ESR1 P03372 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
KCNH2 Q12809 1/20 0.49
FFAR1 O14842 1/20 0.49

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
SCHEMBL16689220 0.88 LMNA (0.69) HRH3KEAP1NFE2L2LTA4HLMNA
SCHEMBL874125 0.85 CYP1A2 (0.56) HRH3LTA4HLMNAL3MBTL1ALDH1A1
SCHEMBL2549152 0.85 HRH3 (0.64) HRH3KEAP1NFE2L2LTA4HLMNA
SCHEMBL7150669 0.84 HRH3 (0.62) HRH3KEAP1NFE2L2LTA4HESR1
SCHEMBL10937896 0.82 LMNA (0.57) LMNAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL14951699 0.82 L3MBTL1 (0.76) LMNAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL26455103 0.82 LMNA (0.66) LMNAL3MBTL1HDAC6ALDH1A1MEN1
Ethylene SCHEMBL10898156 0.81 HRH3 (0.58) HRH3KEAP1NFE2L2LTA4HESR1
SCHEMBL24457814 0.81 LMNA (0.55) LTA4HLMNAL3MBTL1ALDH1A1MEN1
SCHEMBL1809723 0.81 L3MBTL1 (0.69) LMNAL3MBTL1ALDH1A1MEN1KMT2A

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