SCHEMBL874263

SCHEMBL874263

CC(=O)CCc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 3/20 0.64
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
LTA4H P09960 1/20 0.59
ACACB O00763 1/20 0.57
KMT2A Q03164 2/20 0.55
THRB P10828 2/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
MEN1 O00255 1/20 0.53
MAPK1 P28482 2/20 0.53
CYP1A2 P05177 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53

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
SCHEMBL31427171 0.88 LTA4H (0.64) ALDH1A1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL874127 0.88 LTA4H (0.63) KDM4ELTA4HKMT2AMEN1HRH3
SCHEMBL10897064 0.87 ALDH1A1 (0.67) ALDH1A1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL15392094 0.82 LTA4H (0.66) ALDH1A1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL10898384 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL6689250 0.81 ALDH1A1 (0.70) ALDH1A1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL4455251 0.81 ALDH1A1 (0.92) ALDH1A1KDM4EGAASMN1; SMN2KMT2A
SCHEMBL5306939 0.81 HDAC1 (0.57) ALDH1A1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL10377 0.81 NPC1 (0.58) ALDH1A1KDM4EGAASMN1; SMN2LTA4H
SCHEMBL492219 0.81 HRH3 (0.75) KDM4EKMT2AMAPTMEN1HRH3

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