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Sugi Predict / Compounds / SCHEMBL4431034

SCHEMBL4431034

SCHEMBL4431034

Cc1cccc(C(c2cccc(C)c2)c2ccc(C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c3c(C)c(C)c4c(c3C)CCC(C)(C)O4)C(=O)O)c(=O)[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 3/20 0.37
▸ PLAU P00749 2/20 0.37
▸ F10 P00742 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ F2 P00734 2/20 0.33
▸ HSD17B2 P37059 1/20 0.31
▸ ST14 Q9Y5Y6 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
SCHEMBL4428200 0.95 PLG (0.35) PLGPLAUF10KLKB1F2
SCHEMBL4433118 0.94 PLG (0.36) PLGPLAUF10KLKB1F2
SCHEMBL4430728 0.94 PLG (0.36) PLGPLAUF10KLKB1F2
SCHEMBL4426030 0.94 PLG (0.36) PLGPLAUF10KLKB1F2
SCHEMBL4430862 0.93 PLG (0.36) PLGPLAUF10KLKB1F2
SCHEMBL4428182 0.91 PLG (0.37) PLGPLAUF10KLKB1F2
SCHEMBL4430688 0.90 PLG (0.34) PLGPLAUF10KLKB1F2
SCHEMBL4427445 0.89 PLG (0.35) PLGPLAUF10KLKB1F2
SCHEMBL4430715 0.89 PLG (0.34) PLGPLAUF10KLKB1F2
SCHEMBL4431822 0.88 PLG (0.34) 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