SCHEMBL30102197

SCHEMBL30102197

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 2/20 0.41
▸ MLX Q9UH92 1/20 0.41
▸ ACE P12821 1/20 0.40
▸ ELANE P08246 6/20 0.39
▸ CALCRL Q16602 5/20 0.39
▸ CMA1 P23946 1/20 0.38
▸ SLC6A2 P23975 1/20 0.36
▸ RAMP1 O60894 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
SCHEMBL1404290 0.94 ACE (0.41) XIAPMLXACEELANECALCRL
SCHEMBL23229944 0.94 ACE (0.41) XIAPMLXACEELANECALCRL
SCHEMBL1404295 0.94 ACE (0.41) XIAPMLXACEELANECALCRL
SCHEMBL23229943 0.92 ACE (0.39) XIAPMLXACEELANECALCRL
SCHEMBL23230061 0.91 XIAP (0.45) XIAPMLXACEELANECMA1
SCHEMBL23230066 0.91 XIAP (0.45) XIAPMLXACEELANECMA1
SCHEMBL29411315 0.91 XIAP (0.42) XIAPMLXACEELANECALCRL
Trifluoroacetic Acid SCHEMBL30641540 0.90 ELANE (0.44) XIAPMLXACEELANECMA1
SCHEMBL664013 0.87 ELANE (0.47) XIAPMLXACEELANECMA1
SCHEMBL1371146 0.87 ELANE (0.42) XIAPMLXACEELANECMA1

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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