SCHEMBL30102222

SCHEMBL30102222

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ XIAP P98170 1/20 0.43
▸ MLX Q9UH92 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ CALCRL Q16602 4/20 0.39
▸ BDKRB2 P30411 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ KEAP1 Q14145 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
SCHEMBL29565363 0.88 OPRM1 (0.43) XIAPMLXOPRM1OPRD1BDKRB2
SCHEMBL30102031 0.87 CALCRL (0.42) CAPN1SLC6A2XIAPMLXCTSB
SCHEMBL664013 0.86 ELANE (0.47) XIAPMLXELANE
SCHEMBL664014 0.86 ELANE (0.47) XIAPMLXELANE
SCHEMBL29565348 0.85 XIAP (0.41) SLC6A2XIAPMLXCALCRLELANE
SCHEMBL30620966 0.84 XIAP (0.45) CAPN1XIAPMLXOPRM1OPRD1
SCHEMBL31542107 0.84 CAPN1 (0.49) CAPN1SLC6A2CTSBOPRM1OPRD1
SCHEMBL30973966 0.83 CAPN1 (0.46) CAPN1SLC6A2XIAPMLXCTSB
SCHEMBL31542115 0.82 CAPN1 (0.51) CAPN1CTSBOPRM1OPRD1
SCHEMBL30974285 0.82 CAPN1 (0.45) CAPN1XIAPOPRM1OPRD1CALCRL

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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