SCHEMBL11033101

SCHEMBL11033101

O=C(CCc1cccc(CCCN2C(=O)C=CC2=O)c1)ON1C(=O)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.48
GSK3B P49841 3/20 0.48
MGLL Q99685 4/20 0.44
FAAH O00519 3/20 0.44
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
HSP90AA1 P07900 2/20 0.34
NAAA Q02083 1/20 0.33
TLR9 Q9NR96 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11030667 0.90 GSK3A (0.49) GSK3AGSK3BMGLLFAAHPTGS1
SCHEMBL17767816 0.86 PSMB8 (0.42) MGLLFAAHALDH1A1PSMB8PSMB5
SCHEMBL11032604 0.84 GSK3B (0.48) GSK3AGSK3BMGLLFAAHALDH1A1
SCHEMBL11032205 0.83 GSK3A (0.43) GSK3AGSK3BMGLLFAAHPTGS1
SCHEMBL24102148 0.82 ALOX12 (0.44) ALDH1A1SMN1; SMN2PSMB8PSMB5NAAA
SCHEMBL30363197 0.81 KEAP1 (0.45) ALDH1A1PSMB8PSMB5PKMKMT2A
SCHEMBL19644254 0.81 KEAP1 (0.45) ALDH1A1PSMB8PSMB5PKMKMT2A
SCHEMBL105903 0.81 PTGS1 (0.46) GSK3AGSK3BMGLLFAAHPTGS1
SCHEMBL18918259 0.80 PTGS1 (0.53) GSK3AGSK3BMGLLFAAHPTGS1
SCHEMBL18751744 0.79 PSMB8 (0.38) MGLLFAAHALDH1A1PSMB8PSMB5

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
US-4536391-A REACTING A PLASMIN HEAVY CHAIN WITH UROKINASE IN THE PRESENCE OF A COUPLING AGENT OTSUKA PHARMACEUTICAL CO. (JP) 1985-08-20 US disclosed
EP-0109653-A2 Process for preparing urokinase complex OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-05-30 EP disclosed