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Sugi Predict / Compounds / SCHEMBL4436610

SCHEMBL4436610

SCHEMBL4436610

Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)c2ccc(Cc3cccc(Cl)c3)[nH]c2=O)C(=O)O)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 3/20 0.39
▸ PLAU P00749 2/20 0.39
▸ F10 P00742 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ F2 P00734 2/20 0.33
▸ ST14 Q9Y5Y6 1/20 0.32

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
SCHEMBL4428164 0.94 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL4438792 0.94 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL4428156 0.93 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL4436533 0.93 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL4433285 0.93 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL4432533 0.93 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL4430769 0.93 PLG (0.38) PLGPLAUF10KLKB1F2
SCHEMBL4432506 0.91 PLG (0.36) PLGPLAUF10KLKB1F2
SCHEMBL4439729 0.91 F2 (0.37) PLGPLAUF10KLKB1F2
SCHEMBL4433216 0.90 PLG (0.35) PLGPLAUF10KLKB1F2

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