SCHEMBL11032604

SCHEMBL11032604

O=C(ON1C(=O)CCC1=O)c1cccc(CCCN2C(=O)C=CC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.48
GSK3A P49840 3/20 0.48
MGLL Q99685 3/20 0.44
FAAH O00519 2/20 0.44
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
PTGER4 P35408 1/20 0.35
PARP1 P09874 1/20 0.35
HSP90AA1 P07900 2/20 0.34
MAPK1 P28482 1/20 0.34
DHODH Q02127 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
TLR9 Q9NR96 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
SCHEMBL11033648 0.85 GSK3A (0.49) GSK3BGSK3AMGLLFAAHCYP4F2
SCHEMBL11030707 0.85 ALDH1A1 (0.44) GSK3BGSK3AMGLLFAAHMAPK1
SCHEMBL11033101 0.84 GSK3A (0.48) GSK3BGSK3AMGLLFAAHHSP90AA1
SCHEMBL16316860 0.79 LOXL2 (0.44) GSK3BMGLLCYP4F2CYP4A11MAPK1
SCHEMBL19658173 0.77 KMT2A (0.44) GSK3BMGLLCYP4F2CYP4A11MAPK1
SCHEMBL16426741 0.77 LOXL2 (0.40) GSK3BMGLLCYP4F2CYP4A11MAPK1
SCHEMBL14860981 0.76 MAPK1 (0.48) MGLLMAPK1ALDH1A1
SCHEMBL11030667 0.76 GSK3A (0.49) GSK3BGSK3AMGLLFAAHHSP90AA1
SCHEMBL79589 0.74 MAPK1 (0.54) MGLLFAAHHSP90AA1MAPK1ALDH1A1
SCHEMBL29354362 0.74 MAPK1 (0.54) MGLLFAAHHSP90AA1MAPK1ALDH1A1

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