SCHEMBL28522301

SCHEMBL28522301

CCC(C)C(NC(=O)[C@@H]1CCCN1C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 3/20 0.53
▸ REN P00797 8/20 0.51
▸ AGTR1 P30556 1/20 0.50
▸ AGTR2 P50052 1/20 0.50
▸ ELANE P08246 2/20 0.49
▸ CTSG P08311 1/20 0.49
▸ XIAP P98170 1/20 0.49
▸ ANPEP P15144 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ NTSR2 O95665 2/20 0.48
▸ NTSR1 P30989 2/20 0.48
▸ SORT1 Q99523 1/20 0.48

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
SCHEMBL28522299 1.00 LNPEP (0.53) LNPEPRENAGTR1AGTR2ELANE
SCHEMBL15270934 0.97 LNPEP (0.52) LNPEPRENAGTR1AGTR2ELANE
SCHEMBL15270931 0.97 LNPEP (0.52) LNPEPRENAGTR1AGTR2ELANE
SCHEMBL30619671 0.97 LNPEP (0.53) LNPEPRENXIAPANPEPSLC6A2
SCHEMBL30781626 0.95 REN (0.56) RENNTSR2NTSR1SORT1
SCHEMBL17866764 0.94 XIAP (0.54) LNPEPELANECTSGXIAPSLC6A2
SCHEMBL17866766 0.94 XIAP (0.54) LNPEPELANECTSGXIAPSLC6A2
SCHEMBL31206295 0.91 REN (0.57) LNPEPRENNTSR2NTSR1SORT1
SCHEMBL31277053 0.88 SLC6A2 (0.55) ELANECTSGSLC6A2
SCHEMBL2517666 0.88 SLC6A2 (0.53) RENELANECTSGSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112345763-A Quantitative detection kit for total content of bovine beta-casein and application thereof 内蒙古伊利实业集团股份有限公司 2021-02-09 — — CN claimed
CN-112345763-A Quantitative detection kit for total content of bovine beta-casein and application thereof 内蒙古伊利实业集团股份有限公司 2021-02-09 — — CN disclosed
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