SCHEMBL873860

SCHEMBL873860

COCCOc1ccc(CC(C)=NO)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
CTBP2 P56545 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PDE4A P27815 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3662312 0.80 KDM4E (0.62) SMN1; SMN2KDM4ECTBP2HDAC10HDAC6
SCHEMBL874241 0.79 POLB (0.54) ACACBSMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL2603401 0.78 LTA4H (0.47) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL11249716 0.76 PTGS2 (0.48) SMN1; SMN2CTBP2ALDH1A1NPC1MAPT
SCHEMBL11249712 0.76 PTGS2 (0.48) SMN1; SMN2CTBP2ALDH1A1NPC1MAPT
SCHEMBL27937157 0.76 FURIN (0.50) SMN1; SMN2ALDH1A1NPC1MAPTGAA
SCHEMBL3331503 0.76 PLA2G4B (0.57) ACACBSMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL11254350 0.75 ALOX5 (0.57) SMN1; SMN2CYP1A2HIF1AHDAC6ALDH1A1
SCHEMBL8339774 0.75 MAPT (0.52) KDM4EMAPTRAB9A
SCHEMBL10076459 0.75 ALDH1A1 (0.55) ACACBSMN1; SMN2KDM4ECYP1A2CYP2D6

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