SCHEMBL8657573

SCHEMBL8657573

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ ENPEP Q07075 13/20 0.43
▸ CTSD P07339 4/20 0.42
▸ ANPEP P15144 1/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.40

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
SCHEMBL8657568 1.00 ALDH1A1 (0.43) ALDH1A1ENPEPCTSDANPEPLNPEP
SCHEMBL30092208 0.95 CTSD (0.40) ALDH1A1ENPEPCTSDANPEPLNPEP
SCHEMBL30786600 0.92 ENPEP (0.44) ENPEPCTSD
SCHEMBL31134554 0.91 CTSD (0.43) ALDH1A1ENPEPCTSD
SCHEMBL30786604 0.91 ENPEP (0.48) ENPEPCTSD
SCHEMBL30051530 0.90 ALDH1A1 (0.51) ALDH1A1ENPEPCTSDANPEPLNPEP
SCHEMBL29608064 0.89 CTSD (0.51) ENPEPCTSD
SCHEMBL29351121 0.89 ALDH1A1 (0.47) ALDH1A1ENPEP
SCHEMBL30592759 0.89 ALDH1A1 (0.50) ALDH1A1ENPEPCTSDANPEPLNPEP
SCHEMBL30728887 0.88 CTSD (0.40) ALDH1A1ENPEPCTSD

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-5719021-A USING A PEPTIDE UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 1998-02-17 — — US disclosed
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