SCHEMBL4991272

SCHEMBL4991272

Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)c2cccn(Cc3cccc4ccccc34)c2=O)C(=O)O)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.39
PLG P00747 2/20 0.36
F10 P00742 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
F2 P00734 1/20 0.34
TGM2 P21980 2/20 0.31
FOLH1 Q04609 1/20 0.31
BCHE P06276 7/20 0.30
ACHE P22303 7/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL4994558 0.95 C3AR1 (0.37) C3AR1PLGF10PLAUKLKB1
SCHEMBL4996400 0.92 C3AR1 (0.48) C3AR1PLGF10PLAUKLKB1
SCHEMBL4433961 0.92 C3AR1 (0.39) C3AR1PLGF10PLAUKLKB1
SCHEMBL4990890 0.92 C3AR1 (0.39) C3AR1PLGF10PLAUKLKB1
SCHEMBL4997674 0.92 C3AR1 (0.39) C3AR1PLGF10PLAUKLKB1
SCHEMBL4439721 0.92 PLG (0.40) C3AR1PLGF10PLAUKLKB1
SCHEMBL4994776 0.92 PLG (0.40) C3AR1PLGF10PLAUKLKB1
SCHEMBL4995029 0.91 C3AR1 (0.36) C3AR1PLGF10PLAUKLKB1
SCHEMBL4430980 0.90 C3AR1 (0.35) C3AR1PLGF10PLAUKLKB1
SCHEMBL4429634 0.90 F2 (0.38) C3AR1PLGF10PLAUKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968972-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP claimed
WO-2007071598-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 WO claimed
EP-1968972-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP disclosed
WO-2007071598-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 WO disclosed