SCHEMBL30102272

SCHEMBL30102272

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.41
▸ ACE P12821 2/20 0.41
▸ REN P00797 1/20 0.41
▸ KEAP1 Q14145 2/20 0.39
▸ CALCRL Q16602 2/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ APLNR P35414 1/20 0.38
▸ BDKRB2 P30411 1/20 0.38
▸ F2 P00734 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
SCHEMBL30102036 0.85 XIAP (0.46) ACERENCALCRL
SCHEMBL30430988 0.85 ACE (0.46) ACEREN
SCHEMBL30102030 0.81 OPRM1 (0.43) KEAP1OPRM1OPRD1BDKRB2F2
SCHEMBL29565604 0.81 ACE (0.44) ACERENKEAP1OPRM1OPRD1
SCHEMBL31693369 0.81 ITGB3 (0.47) OPRM1OPRD1APLNRF2
SCHEMBL29565573 0.80 ACE (0.42) ACEREN
SCHEMBL10773608 0.79 APLNR (0.43) CXCR4KEAP1CALCRLAPLNR
SCHEMBL10773591 0.79 APLNR (0.43) CXCR4KEAP1CALCRLAPLNR
SCHEMBL31534097 0.79 BDKRB2 (0.41) ACERENOPRM1OPRD1BDKRB2
SCHEMBL29565358 0.79 XIAP (0.43) ACERENKEAP1CALCRLOPRM1

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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