SCHEMBL29466039

SCHEMBL29466039

NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.53
▸ MME P08473 5/20 0.52
▸ ITGB3 P05106 2/20 0.48
▸ ITGA2B P08514 2/20 0.48
▸ ACE P12821 5/20 0.48
▸ GNPAT O15228 1/20 0.48
▸ CPA1 P15085 3/20 0.48
▸ ACE2 Q9BYF1 3/20 0.48
▸ ECE1 P42892 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ QRFPR Q96P65 1/20 0.47

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
SCHEMBL29707527 0.90 NAALAD2 (0.55) NAALAD2MMEACECPA1ACE2
SCHEMBL30468673 0.90 NAALAD2 (0.55) NAALAD2MMEACECPA1ACE2
SCHEMBL31243864 0.89 BACE1 (0.52) —
SCHEMBL8068326 0.88 MME (0.61) MMEITGB3ITGA2BACEGNPAT
SCHEMBL8068319 0.88 MME (0.61) MMEITGB3ITGA2BACEGNPAT
SCHEMBL29630734 0.87 NAALAD2 (0.54) NAALAD2MMEACECPA1ACE2
SCHEMBL29652313 0.86 NAALAD2 (0.54) NAALAD2MMEACEGNPATCPA1
SCHEMBL30903452 0.86 BACE1 (0.57) NAALAD2MME
SCHEMBL31514370 0.86 MME (0.53) NAALAD2MMEITGB3ITGA2BACE
SCHEMBL31380447 0.86 NAALAD2 (0.65) NAALAD2MMEGNPAT

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
EP-3360891-B1 CELL PENETRATING PEPTIDES OF HUMAN ORIGIN KARLSRUHER INST TECHNOLOGIE (DE) 2022-03-30 — — EP disclosed
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