SCHEMBL30830405

SCHEMBL30830405

CC(N)C(=O)NC(CSSCC(NC(=O)C(C)N)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.48
▸ ACE P12821 6/20 0.43
▸ ITGB1 P05556 2/20 0.42
▸ ITGA4 P13612 2/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ ECE1 P42892 2/20 0.39
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ CTRB1 P17538 1/20 0.37
▸ FOLH1 Q04609 2/20 0.37
▸ NAALAD2 Q9Y3Q0 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2545697 1.00 NOD1 (0.48) NOD1ACEITGB1ITGA4DPP4
SCHEMBL2545708 1.00 NOD1 (0.48) NOD1ACEITGB1ITGA4DPP4
SCHEMBL10704006 0.93 NOD1 (0.44) NOD1ACEITGB1ITGA4DPP4
SCHEMBL9326107 0.93 NOD1 (0.50) NOD1ACEITGB1ITGA4DPP4
SCHEMBL445484 0.87 NOD1 (0.46) NOD1ACEITGB1ITGA4DPP4
SCHEMBL23154560 0.85 NOD1 (0.46) NOD1ACEDPP4ECE1DPP8
SCHEMBL8419719 0.84 ACE (0.46) ACEITGB1ITGA4FOLH1NAALAD2
SCHEMBL8416407 0.84 ACE (0.46) ACEITGB1ITGA4FOLH1NAALAD2
SCHEMBL8416400 0.84 ACE (0.46) ACEITGB1ITGA4FOLH1NAALAD2
SCHEMBL9810324 0.82 SLC7A5 (0.50) ACEITGB1ITGA4FOLH1ALDH1A1

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-110418837-B Culture medium comprising oligopeptides 赢创运营有限公司 2024-04-02 — — CN disclosed
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