SCHEMBL28762579

SCHEMBL28762579

CC(C)C[C@@H]([C]=O)NC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.52
▸ SLC7A5 Q01650 1/20 0.52
▸ HRH4 Q9H3N8 2/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ NLN Q9BYT8 1/20 0.47

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
SCHEMBL27719102 0.89 CYP3A4 (0.58) CYP3A4SLC7A5NLN
SCHEMBL24725104 0.82 CYP3A4 (0.53) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL27806348 0.82 CYP3A4 (0.60) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL29728766 0.82 CYP3A4 (0.60) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL27449710 0.79 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL12343824 0.79 CYP3A4 (0.58) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL15259275 0.79 CYP3A4 (0.58) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL30270561 0.79 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL6957266 0.78 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL13331622 0.78 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1927004-B Complex function fermentation soybean sprout milk and method for preparing same UNIV TIANJIN SCIENCE & TECH 2011-05-18 — — CN disclosed
CN-1887098-B Mature cheese with casein phosphopetide and angiotensin converzyme resisting peptide and its preparation process UNIV TIANJIN SCIENCE & TECH 2010-12-15 — — CN disclosed
CN-1903052-B Method for prepairng whey powder containing casein phosphopeptide, anti-angiotonin converzyme peptide and oligo-galactose UNIV TIANJIN SCIENCE & TECH 2010-04-28 — — CN disclosed
CN-1927004-A Complex function fermentation soybean sprout milk and method for preparing same UNIV TIANJIN SCIENCE & TECH (CN) 2007-03-14 — — CN disclosed
CN-1927005-A Fermentation soybean milk with increasing compact bone substance density and inhibiting angiotensin converting enzyme function and method for preparing same UNIV TIANJIN SCIENCE & TECH (CN) 2007-03-14 — — CN disclosed
CN-1927010-A Lactose free fermentation soybean milk with increasing compact bone substance density and inhibiting angiotensin converting enzyme function and method for preparing same UNIV TIANJIN SCIENCE & TECH (CN) 2007-03-14 — — CN disclosed
CN-1903049-A Whey beverage contg. casein phosphopeptide and angiotonin converzyme inhibiting peptide, and its prepn. method TIANJIN SCIENCE & TECH UNIV (CN) 2007-01-31 — — CN disclosed
CN-1903052-A Method for prepairng whey powder contg. casein phosphopeptide, anti-angiotonin converzyme peptide and oligo-galactose TIANJIN SCIENCE & TECH UNIV (CN) 2007-01-31 — — CN disclosed
CN-1887098-A Mature cheese with casein phosphopetide and angiotensin converzyme resisting peptide and its prepn process TIANJIN SCIENCE & TECHNOLOGY U (CN) 2007-01-03 — — CN disclosed
CN-1887099-A Fresh soft cheese with angiotensinase inhibiting function and its prepn process TIANJIN SCIENCE & TECHNOLOGY U (CN) 2007-01-03 — — CN disclosed
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