SCHEMBL3396644

SCHEMBL3396644

CC(C)C(NC(=O)CN)C(=O)NC(CO)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.45
TGFBR1 P36897 3/20 0.43
ECE1 P42892 2/20 0.39
ACE P12821 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CTSC P53634 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35

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
SCHEMBL3396651 1.00 MME (0.45) MMETGFBR1ECE1ACENPSR1
SCHEMBL29386274 0.89 MME (0.44) MMETGFBR1ECE1ACE
SCHEMBL30596303 0.88 MME (0.43) MMETGFBR1ECE1FNTAFNTB
SCHEMBL29867569 0.87 NMT1 (0.51)
SCHEMBL29958768 0.86 ECE1 (0.44) ECE1
SCHEMBL30051624 0.86 ALDH1A1 (0.50) CTSC
SCHEMBL31265329 0.84 ECE1 (0.57) ECE1ACE
SCHEMBL4093767 0.83 MME (0.47) MMETGFBR1ECE1ACE
SCHEMBL4970209 0.83 MME (0.47) MMETGFBR1ECE1ACE
SCHEMBL29389004 0.83 SLC15A2 (0.51)

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-2248821-B1 SUBSTRATE FOR ASSAYING -GLUCAN AND/OR ENDOTOXIN AND ASSAY METHOD WAKO PURE CHEM IND LTD (JP) 2015-01-28 EP disclosed
US-8546072-B2 Substrate for assaying β-glucan and/or endotoxin and assay method WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
US-20100330700-A1 SUBSTRATE FOR ASSAYING BETA-GLUCAN AND/OR ENDOTOXIN AND ASSAY METHOD WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-30 US disclosed
EP-2248821-A1 SUBSTRATE FOR ASSAYING -GLUCAN AND/OR ENDOTOXIN AND ASSAY METHOD Wako Pure Chemical Industries, Ltd. (JP) 2010-11-10 EP disclosed