SCHEMBL30102062

SCHEMBL30102062

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.43
▸ ACE P12821 2/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ NPY2R P49146 7/20 0.38
▸ NPY4R P50391 7/20 0.38
▸ NPY5R Q15761 7/20 0.38
▸ NPY1R P25929 5/20 0.38
▸ REN P00797 1/20 0.37
▸ DPP4 P27487 3/20 0.37
▸ FAP Q12884 2/20 0.37
▸ DPP8 Q6V1X1 2/20 0.37
▸ DPP9 Q86TI2 2/20 0.37
▸ DPP7 Q9UHL4 2/20 0.37
▸ CALCRL Q16602 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36

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
SCHEMBL23230061 0.89 XIAP (0.45) XIAPACEMMP2NPY2RNPY4R
SCHEMBL23230066 0.89 XIAP (0.45) XIAPACEMMP2NPY2RNPY4R
SCHEMBL29565358 0.85 XIAP (0.43) XIAPACERENDPP4FAP
SCHEMBL31410889 0.84 NPY1R (0.47) XIAPNPY2RNPY4RNPY5RNPY1R
SCHEMBL31235886 0.82 XIAP (0.45) XIAPACENPY2RNPY4RNPY5R
SCHEMBL29411286 0.81 XIAP (0.48) XIAPACEDPP4FAPDPP8
SCHEMBL23229944 0.81 ACE (0.41) XIAPACECALCRL
SCHEMBL1404290 0.81 ACE (0.41) XIAPACECALCRL
SCHEMBL1404295 0.81 ACE (0.41) XIAPACECALCRL
SCHEMBL29452627 0.81 XIAP (0.50) XIAPNPY2RNPY4RNPY5RNPY1R

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-115109816-A Method for preparing elastin peptide, elastin peptide prepared thereby and uses thereof 安徽盛美诺生物技术有限公司 2022-09-27 — — CN disclosed
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