SCHEMBL15743602

SCHEMBL15743602

CC1=CC=CC=C(N2C(=O)C=CC2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.36
HSP90AA1 P07900 2/20 0.36
CCR6 P51684 2/20 0.36
FAAH O00519 2/20 0.33
TLR9 Q9NR96 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 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
SCHEMBL13509373 0.72 MGLL (0.38) MGLLHSP90AA1CCR6FAAHTLR9
SCHEMBL371393 0.65 MGLL (0.35) MGLLHSP90AA1CCR6FAAH
SCHEMBL12994154 0.65 MGLL (0.34) MGLLFAAHTLR9
SCHEMBL10784242 0.64
SCHEMBL5146909 0.63 FAAH (0.32) MGLLFAAHTLR9
SCHEMBL2289204 0.62
SCHEMBL28376806 0.60 MGLL (0.42) MGLLHSP90AA1CCR6FAAHTLR9
SCHEMBL19511786 0.58 MGLL (0.48) MGLLHSP90AA1CCR6FAAHTLR9
SCHEMBL19988004 0.57
SCHEMBL29114362 0.55 LMNA (0.39) MGLLHSP90AA1CCR6FAAHTLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8734939-B2 Thermally reversible hot melt adhesive composition containing multifunctional diene and dienophile compounds Henkel US IP LLC (US) 2014-05-27 US disclosed