SCHEMBL30102036

SCHEMBL30102036

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 2/20 0.46
▸ MLX Q9UH92 1/20 0.46
▸ CALCRL Q16602 5/20 0.42
▸ ACE P12821 3/20 0.41
▸ REN P00797 1/20 0.41
▸ ELANE P08246 5/20 0.40
▸ CMA1 P23946 1/20 0.39
▸ BIRC2 Q13490 1/20 0.38
▸ CTSD P07339 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL30102272 0.85 CXCR4 (0.41) CALCRLACEREN
SCHEMBL29566972 0.84 XIAP (0.45) XIAPMLXCALCRLACEELANE
SCHEMBL664014 0.83 ELANE (0.47) XIAPMLXACEELANECMA1
SCHEMBL664013 0.83 ELANE (0.47) XIAPMLXACEELANECMA1
SCHEMBL29565573 0.82 ACE (0.42) XIAPMLXACERENELANE
SCHEMBL31415942 0.82 NTSR1 (0.46) CTSDBACE1
SCHEMBL1506412 0.82 ELANE (0.45) XIAPMLXCALCRLELANECMA1
SCHEMBL1506410 0.82 ELANE (0.45) XIAPMLXCALCRLELANECMA1
SCHEMBL26932807 0.81 XIAP (0.47) XIAPMLXACEELANECMA1
SCHEMBL26932805 0.81 XIAP (0.47) 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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