SCHEMBL29504883

SCHEMBL29504883

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.55
▸ QRFPR Q96P65 5/20 0.49
▸ BACE1 P56817 7/20 0.47
▸ BACE2 Q9Y5Z0 2/20 0.47
▸ MME P08473 1/20 0.46
▸ CTSD P07339 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ CTSB P07858 1/20 0.46

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
SCHEMBL29735690 0.91 NAALAD2 (0.56) NAALAD2
SCHEMBL29591024 0.90 CTSB (0.49) NAALAD2QRFPRBACE1MMECTSB
SCHEMBL23142823 0.88 CTSB (0.55) QRFPRMMECTSB
SCHEMBL30051999 0.88 CTSB (0.55) QRFPRMMECTSB
SCHEMBL23142822 0.88 CTSB (0.55) QRFPRMMECTSB
SCHEMBL30051480 0.88 CTSB (0.55) QRFPRMMECTSB
SCHEMBL29664477 0.88 NAALAD2 (0.53) NAALAD2QRFPR
SCHEMBL29630682 0.87 CTSB (0.51) QRFPRMMECTSB
SCHEMBL29558768 0.86 OPRD1 (0.52) NAALAD2BACE1BACE2
SCHEMBL29574387 0.86 MME (0.56) NAALAD2MME

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114317389-B Method for producing L-threonine by co-culture fermentation of recombinant escherichia coli 南京工业大学 2023-06-13 — — CN disclosed
CN-114606171-A Recombinant escherichia coli with blaR gene knocked out and construction method and application thereof 南京工业大学 2022-06-10 — — CN disclosed
CN-114317389-A Method for producing L-threonine by co-culture fermentation of recombinant escherichia coli 南京工业大学 2022-04-12 — — CN disclosed
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