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SCHEMBL4428226

SCHEMBL4428226

Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)C(=O)O)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ PTGER3 P43115 5/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL4432074 0.94 PLG (0.37) PLGF10PLAUKLKB1F2
SCHEMBL4430676 0.90 PLG (0.34) PLGF10PLAUKLKB1F2
SCHEMBL4439729 0.90 F2 (0.37) PLGF10PLAUKLKB1F2
SCHEMBL4426867 0.87 PLG (0.37) PLGF10PLAUKLKB1F2
SCHEMBL4436533 0.87 PLG (0.39) PLGF10PLAUKLKB1F2
SCHEMBL4428156 0.87 PLG (0.39) PLGF10PLAUKLKB1F2
SCHEMBL4429701 0.87 PLG (0.38) PLGF10PLAUKLKB1F2
SCHEMBL4438524 0.87 PLG (0.37) PLGF10PLAUKLKB1F2
SCHEMBL4438792 0.86 PLG (0.39) PLGF10PLAUKLKB1F2
SCHEMBL4426869 0.86 PLG (0.35) PLGF10PLAUKLKB1F2

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
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 — — EP disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 — — WO disclosed