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SCHEMBL29410233

SCHEMBL29410233

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.47
▸ KDM1A O60341 3/20 0.47
▸ MAOB P27338 1/20 0.47
▸ KDM5A P29375 1/20 0.47
▸ KDM1B Q8NB78 1/20 0.47
▸ EP300 Q09472 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ NPY2R P49146 7/20 0.45
▸ NPY4R P50391 7/20 0.45
▸ NPY5R Q15761 7/20 0.45
▸ NPY1R P25929 5/20 0.45
▸ NTSR2 O95665 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ SORT1 Q99523 1/20 0.45
▸ CXCR4 P61073 1/20 0.45
▸ F2 P00734 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44

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
SCHEMBL31461877 0.90 NTSR1 (0.43) KDM1AMAOBKDM5AKDM1BEP300
SCHEMBL30997453 0.90 NTSR1 (0.45) NTSR2NTSR1SORT1MAPK8MAPK9
SCHEMBL29410236 0.87 MAPK8 (0.59) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL31461942 0.87 NTSR1 (0.50) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL31461992 0.87 EP300 (0.43) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL30443975 0.86 ACE (0.45) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL31462125 0.86 NTSR1 (0.46) KDM1AMAOBKDM5AKDM1BEP300
SCHEMBL30844275 0.86 NPY2R (0.52) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL30844332 0.85 NPY2R (0.57) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL29914214 0.85 MAPK8 (0.52) EP300HIF1ANPY2RNPY4RNPY5R

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
US-11274129-B2 Methods for protein tyrosine phosphorylation profiling with variant SH2 domains Li, Shun-Cheng (CA) 2022-03-15 — — US disclosed
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