SCHEMBL29547288

SCHEMBL29547288

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.48
▸ ACE P12821 3/20 0.43
▸ REN P00797 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ CMA1 P23946 1/20 0.42
▸ CAPN1 P07384 3/20 0.39
▸ RAMP3 O60896 3/20 0.39
▸ CALCR P30988 3/20 0.39
▸ NRP1 O14786 1/20 0.38
▸ CALCRL Q16602 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ CXCL8 P10145 1/20 0.38
▸ CTSD P07339 1/20 0.38
▸ BACE1 P56817 1/20 0.38

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
SCHEMBL29546551 1.00 GRB2 (0.48) GRB2ACERENXIAPCMA1
SCHEMBL31218906 0.91 GRB2 (0.51) GRB2ACERENXIAPCMA1
SCHEMBL30444471 0.90 CTSD (0.46) GRB2ACERENXIAPCMA1
SCHEMBL29974998 0.89 ACE (0.49) GRB2ACERENXIAPCMA1
SCHEMBL29641846 0.86 GRB2 (0.51) GRB2ACERENXIAPCMA1
SCHEMBL8429833 0.85 CXCL8 (0.46) GRB2RAMP3CALCRCXCL8
SCHEMBL29571867 0.85 F2 (0.46) GRB2ACEXIAPNRP1F2
SCHEMBL29801717 0.84 GRB2 (0.51) GRB2ACEXIAPNRP1F2
SCHEMBL30443935 0.84 CALCRL (0.46) GRB2ACERENXIAPNRP1
SCHEMBL8431318 0.83 CXCL8 (0.45) GRB2RAMP3CALCRCXCL8

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-112500469-B Bioactive polypeptide AAPAAPAAAPPAE, and preparation method and application thereof 熊猫乳品集团股份有限公司 2022-03-29 — — CN claimed
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