SCHEMBL4004252

SCHEMBL4004252

[CH2]C#CN1C(=O)C=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
FAAH O00519 3/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GMNN O75496 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
TLR9 Q9NR96 2/20 0.31
HSP90AA1 P07900 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL718144 0.74 MGLL (0.41) MGLLGSK3AGSK3BFAAHALDH1A1
SCHEMBL8471148 0.69
SCHEMBL23045146 0.69 DDAH1 (0.33) MGLLGSK3AGSK3B
SCHEMBL30787946 0.67 GSK3A (0.31) GSK3AGSK3BALDH1A1LMNAMAPT
SCHEMBL723636 0.67
SCHEMBL379177 0.66 MGLL (0.39) MGLLGSK3AGSK3BFAAHALDH1A1
SCHEMBL10606609 0.64
SCHEMBL157324 0.58 MGLL (0.50) MGLLGSK3AGSK3BFAAHALDH1A1
SCHEMBL25413969 0.58 MGLL (0.33) MGLLGSK3AGSK3BFAAHNPSR1
SCHEMBL4857568 0.57 MGLL (0.41) MGLLGSK3AGSK3BFAAHALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214438-A1 METHODS AND COMPOSITIONS FOR THE PREPARATION AND USE OF TOXIN CONJUGATES INSTITUT CURIE (FR) 2009-08-27 US disclosed
WO-2009077586-A2 METHODS AND COMPOSITIONS FOR THE PREPARATION AND USE OF TOXIN CONJUGATES INSTITUT CURIE (FR) 2009-06-25 WO disclosed
EP-2072060-A1 Methods and compositions for the preparation and use of toxin conjugates. Institut Curie (FR) 2009-06-24 EP disclosed