SCHEMBL29973181

SCHEMBL29973181

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nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.48
CTSD P07339 4/20 0.48
ECE1 P42892 2/20 0.48
ENPEP Q07075 5/20 0.46
PDCD1LG2 Q9BQ51 1/20 0.43
CD274 Q9NZQ7 1/20 0.43

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
SCHEMBL29630874 0.94 ECE1 (0.54) BACE1CTSDECE1ENPEPPDCD1LG2
SCHEMBL29630884 0.94 ECE1 (0.54) BACE1CTSDECE1ENPEPPDCD1LG2
SCHEMBL29630710 0.94 ECE1 (0.54) BACE1CTSDECE1ENPEPPDCD1LG2
SCHEMBL29630775 0.94 ECE1 (0.54) BACE1CTSDECE1ENPEPPDCD1LG2
SCHEMBL30123289 0.92 ENPEP (0.48) ENPEP
SCHEMBL29870994 0.92 ECE1 (0.51) BACE1ECE1ENPEPPDCD1LG2CD274
SCHEMBL14571182 0.89 BACE1 (0.50) BACE1CTSDECE1
SCHEMBL29697180 0.88 PDCD1LG2 (0.50) BACE1CTSDECE1PDCD1LG2CD274
SCHEMBL29375430 0.88 MME (0.46) BACE1ENPEP
SCHEMBL31571456 0.87 ECE1 (0.47) BACE1CTSDECE1ENPEPPDCD1LG2

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-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 EP disclosed