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Sugi Predict / Compounds / SCHEMBL4438546

SCHEMBL4438546

SCHEMBL4438546

Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)c2c[nH]c(=O)c(Cc3ccccc3)c2)C(=O)O)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 3/20 0.40
▸ PLAU P00749 2/20 0.40
▸ F10 P00742 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ F2 P00734 2/20 0.34
▸ ST14 Q9Y5Y6 1/20 0.32
▸ KLK7 P49862 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
SCHEMBL4436634 0.89 PLG (0.38) PLGPLAUF10KLKB1F2
SCHEMBL4430680 0.88 PLG (0.44) PLGPLAUF10KLKB1F2
SCHEMBL4437683 0.88 PLG (0.47) PLGPLAUF10KLKB1F2
SCHEMBL4431517 0.88 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL4438036 0.86 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL4436533 0.85 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL4428156 0.85 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL4428164 0.84 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL4430769 0.83 PLG (0.38) PLGPLAUF10KLKB1F2
SCHEMBL4990632 0.83 PLG (0.42) 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