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Leucine

Leucine

SCHEMBL7327425

CC(C)CC(N)C(=O)O.CCCc1ccc(CC[C@H](N[C@H](C)C(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.43

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43
▸ MME P08473 1/20 0.43
▸ CTSL P07711 5/20 0.43
▸ ACE P12821 6/20 0.43
▸ CTSK P43235 1/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ CTSB P07858 1/20 0.41

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
Leucine SCHEMBL7325203 0.87 MMP2 (0.53) SLC1A3SLC1A1MMECTSLCTSK
Leucine SCHEMBL6418640 0.86 SLC7A5 (0.44) MMEACEMMP3MMP2
Leucine SCHEMBL7364033 0.86 SLC7A5 (0.44) MMEACEMMP3MMP2
SCHEMBL7322354 0.85 MME (0.53) MMECTSLACE
Leucine SCHEMBL6412971 0.84 MMP2 (0.50) MMEACEMMP3MMP2
Leucine SCHEMBL7367908 0.80 SLC7A5 (0.44) MMEACEMMP3MMP2
Leucine SCHEMBL6411762 0.80 SLC7A5 (0.44) MMEACEMMP3MMP2
SCHEMBL10829372 0.78 ACE (0.57) ACE
SCHEMBL9773173 0.78 ACE (0.57) ACE
SCHEMBL9257644 0.78 ACE (0.57) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932551-A INHIBITORS OF MATRIX METALLOENDOPROTEINASE-MEDIATED DISEASES MERCK & CO., INC. (US) 1999-08-03 — — US disclosed
EP-0586537-A4 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO INC (US) 1997-06-25 — — EP disclosed
EP-0586537-A1 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO. INC. (US) 1994-03-16 — — EP disclosed
WO-1992021360-A1 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO., INC. (US) 1992-12-10 — — WO disclosed