SCHEMBL8761927

SCHEMBL8761927

CCCC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 5/20 0.55
▸ MME P08473 4/20 0.55
▸ CTSK P43235 2/20 0.53
▸ CTSL P07711 4/20 0.50
▸ CTSS P25774 2/20 0.50
▸ CTSB P07858 1/20 0.50
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ SIRT1 Q96EB6 1/20 0.48
▸ TACR1 P25103 2/20 0.48
▸ CAPN1 P07384 1/20 0.48

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
SCHEMBL8761906 0.91 CTSL (0.52) ECE1MMECTSKCTSLCTSS
SCHEMBL11148538 0.90 MME (0.58) ECE1MMECTSKCTSLCTSS
SCHEMBL10985113 0.88 CTSL (0.51) ECE1MMECTSKCTSLCTSS
SCHEMBL10986547 0.87 MME (0.52) ECE1MMECTSKCTSLCTSS
SCHEMBL10934632 0.86 ALDH1A1 (0.57) CTSKCTSLCTSSCTSBTACR1
SCHEMBL11146459 0.85 MME (0.61) ECE1MMECTSKCTSLCTSS
SCHEMBL329038 0.84 CTSK (0.66) ECE1MMECTSKCTSLCTSS
SCHEMBL265461 0.84 CTSK (0.66) ECE1MMECTSKCTSLCTSS
SCHEMBL265783 0.84 CTSK (0.66) ECE1MMECTSKCTSLCTSS
SCHEMBL7757920 0.84 MME (0.59) ECE1MMECTSLCTSSCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779296-A2 D-alpha-aminoalkanoyl-(S)-N-alpha-alkylbenzyl amides useful as intermediates for artificial sweeteners THE COCA-COLA COMPANY (US) 1997-06-18 — — EP disclosed
US-5286509-A L-aspartyl-D-α-aminoalkanoyl-(S)-N-alpha-alkylbenzyl amides useful as artificial sweeteners THE COCA-COLA COMPANY (US) 1994-02-15 — — US disclosed
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