SCHEMBL2837128

SCHEMBL2837128

NC(=O)C[C@H](N)C(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
TGFBR1 P36897 1/20 0.37
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MME P08473 2/20 0.33
IL1RN P18510 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
NOD1 Q9Y239 1/20 0.33

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
SCHEMBL6516429 0.88 ECE1 (0.51) ECE1PDCD1LG2CD274DPP4DPP8
SCHEMBL27587945 0.87 MME (0.42) TGFBR1MMEIL1RNERAP2ERAP1
SCHEMBL9852015 0.87 TGFBR1 (0.53) ECE1PDCD1LG2CD274TGFBR1CA1
SCHEMBL9852018 0.87 TGFBR1 (0.53) ECE1PDCD1LG2CD274TGFBR1CA1
SCHEMBL4129529 0.87 MME (0.42) TGFBR1MMEIL1RNERAP2ERAP1
SCHEMBL20990382 0.86 TGFBR1 (0.41) ECE1PDCD1LG2CD274TGFBR1DPP4
SCHEMBL27814307 0.86 TGFBR1 (0.41) ECE1PDCD1LG2CD274TGFBR1DPP4
SCHEMBL29826167 0.84 TGFBR1 (0.50) ECE1PDCD1LG2CD274TGFBR1CA1
SCHEMBL27347109 0.83 ECE1 (0.44) ECE1PDCD1LG2CD274DPP4DPP8
SCHEMBL30010357 0.82 ECE1 (0.49) ECE1PDCD1LG2CD274TGFBR1CA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100040879-A1 PEPTIDE-COATED FIBERS DOW EUROPE GMBH (CH) 2010-02-18 US disclosed
US-20100040880-A1 PROCESS FOR FABRICATING PEPTIDE-COATED FIBERS THE UNIVERSITY OF LEEDS (GB) 2010-02-18 US disclosed
EP-0661988-A1 COMPOSITION AND TREATMENT WITH BIOLOGICALLY ACTIVE PEPTIDES AND CHELATING AGENTS MAGAININ PHARMACEUTICALS INC. (US) 1995-07-12 EP disclosed
EP-0661988-A4 COMPOSITION AND TREATMENT WITH BIOLOGICALLY ACTIVE PEPTIDES AND CHELATING AGENTS. MAGAININ PHARMA (US) 1995-02-10 EP disclosed
WO-1993011783-A1 COMPOSITION AND TREATMENT WITH BIOLOGICALLY ACTIVE PEPTIDES AND CHELATING AGENTS MAGAININ PHARMACEUTICALS INC. (US) 1993-06-24 WO disclosed