SCHEMBL30102186

SCHEMBL30102186

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 2/20 0.46
▸ NTSR1 P30989 3/20 0.39
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MLX Q9UH92 1/20 0.38
▸ NTSR2 O95665 2/20 0.38
▸ OPRD1 P41143 2/20 0.37
▸ ACE P12821 3/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ REN P00797 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PEPD P12955 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTR2A P28223 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
SCHEMBL29566101 0.83 PTGS1 (0.43) XIAPOPRD1ACEPTGS1KDM4E
SCHEMBL6324613 0.81 OPRD1 (0.48) NTSR1NTSR2OPRD1SORT1
SCHEMBL6324625 0.81 OPRD1 (0.48) NTSR1NTSR2OPRD1SORT1
SCHEMBL29567377 0.81 XIAP (0.47) XIAPNTSR1POLBKMT2AL3MBTL1
SCHEMBL29565370 0.81 XIAP (0.50) XIAPPOLB
SCHEMBL29381187 0.80 XIAP (0.43) XIAPNTSR1NTSR2OPRD1SORT1
SCHEMBL29692652 0.80 XIAP (0.50) XIAPPOLBKMT2AL3MBTL1MLX
SCHEMBL30558198 0.79 ACE (0.45) XIAPMLXACEPTGS1KDM4E
SCHEMBL29411286 0.79 XIAP (0.48) XIAPPOLBMLXACE
SCHEMBL30102062 0.79 XIAP (0.43) XIAPACEREN

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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