SCHEMBL30786582

SCHEMBL30786582

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

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ENPEP Q07075 16/20 0.47
▸ ECE1 P42892 2/20 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
SCHEMBL30786600 0.94 ENPEP (0.44) ENPEP
SCHEMBL29630739 0.92 ENPEP (0.54) ENPEPECE1
SCHEMBL30628803 0.89 ECE1 (0.46) ECE1
SCHEMBL30786604 0.89 ENPEP (0.48) ENPEP
SCHEMBL8657573 0.88 ALDH1A1 (0.43) ENPEP
SCHEMBL30737533 0.88 ECE1 (0.47) ECE1
SCHEMBL8657568 0.88 ALDH1A1 (0.43) ENPEP
SCHEMBL30593353 0.88 BACE1 (0.44) ENPEPECE1
SCHEMBL30801496 0.87 ENPEP (0.50) ENPEPECE1
SCHEMBL30123041 0.87 ECE1 (0.56) ECE1

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-117815402-A Coupling medicine of targeting STAT3 protein and application thereof 国家纳米科学中心 2024-04-05 — — CN disclosed
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