SCHEMBL30708115

SCHEMBL30708115

CC(C)[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.59
DPP3 Q9NY33 3/20 0.59
CMA1 P23946 5/20 0.57
CALCRL Q16602 3/20 0.56
ANPEP P15144 1/20 0.55
LNPEP Q9UIQ6 1/20 0.55
ELANE P08246 2/20 0.54
CTSG P08311 1/20 0.54
ACE P12821 1/20 0.52
XIAP P98170 2/20 0.52

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
SCHEMBL30240001 0.92 SLC6A2 (0.57) SLC6A2DPP3CMA1LNPEPACE
SCHEMBL30688495 0.90 SLC6A2 (0.68) SLC6A2CMA1CALCRLELANECTSG
SCHEMBL13108870 0.88 SLC6A2 (0.64) SLC6A2DPP3CMA1CALCRLELANE
SCHEMBL12885182 0.88 SLC6A2 (0.64) SLC6A2DPP3CMA1CALCRLELANE
SCHEMBL31121210 0.88 LNPEP (0.66) SLC6A2DPP3CMA1ANPEPLNPEP
SCHEMBL29638298 0.87 LNPEP (0.62) SLC6A2DPP3ANPEPLNPEP
SCHEMBL29614936 0.87 SLC6A2 (0.76) SLC6A2CMA1CALCRL
SCHEMBL29602423 0.87 SLC6A2 (0.62) SLC6A2DPP3CMA1CALCRLANPEP
SCHEMBL30945872 0.86 DPP3 (0.62) SLC6A2DPP3CMA1ANPEPLNPEP
SCHEMBL30434308 0.86 LNPEP (0.59) SLC6A2DPP3CMA1CALCRLANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072758-B Purification method of pseudomonas aeruginosa vaccine recombinant protein reSBP 重庆艾力彼生物科技有限公司 2023-10-20 CN disclosed