SCHEMBL30155062

SCHEMBL30155062

O=C(O)/C=C\C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.36
▸ GAA P10253 1/20 0.36
▸ CA2 P00918 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ LMNA P02545 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ CDC25B P30305 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ITGB2 P05107 1/20 0.30
▸ ICAM1 P05362 1/20 0.30

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
SCHEMBL30810330 0.86 MME (0.40) TAAR1ALDH1A1
SCHEMBL6564191 0.85 TGM2 (0.34) PPARGNOS2CYP2C19ALOX15ITGB2
SCHEMBL6564177 0.85 TGM2 (0.34) PPARGNOS2CYP2C19ALOX15ITGB2
Hydrochloric Acid SCHEMBL28591530 0.84 TGM2 (0.33) PPARGNOS2CYP2C19ALOX15ITGB2
SCHEMBL1073717 0.83 ITGB2 (0.36) CA2ITGB2ICAM1ITGAL
SCHEMBL6026424 0.80 ALOX15 (0.42) ALDH1A1PPARGKDM4ELMNAMAPT
SCHEMBL5494115 0.80 CPB2 (0.34) CA2ITGB2ICAM1ITGAL
SCHEMBL5494120 0.80 CPB2 (0.34) CA2ITGB2ICAM1ITGAL
SCHEMBL61370 0.80 ALOX15 (0.42) ALDH1A1PPARGKDM4ELMNAMAPT
SCHEMBL30457026 0.80 ITGB2 (0.33) CA2ITGB2ICAM1ITGAL

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-120136968-A Preparation method and application of Chlamydomonas reinhardtii antihypertensive peptide and composition thereof 中国科学院海洋研究所 2025-06-13 — — CN disclosed
CN-119700784-A Application of 3', 5-dimethyl hesperidin and pharmaceutical composition with angiotensin converting enzyme inhibition effect 广州白云山汉方现代药业有限公司 2025-03-28 — — CN disclosed
CN-118108792-A Chlorella oligopeptide capable of reducing blood pressure and composition and application thereof 中国科学院海洋研究所 2024-05-31 — — CN disclosed
CN-117964693-A Chlorella antihypertensive peptide and composition, preparation method and application thereof 中国科学院海洋研究所 2024-05-03 — — CN disclosed
CN-114032267-B Preparation method and application of active peptide 南京中医药大学 2024-03-29 — — CN disclosed
CN-117357514-A Application of nepetalactone in inhibiting activity of angiotensin converting enzyme 广州白云山汉方现代药业有限公司 2024-01-09 — — CN disclosed
CN-117281850-A Supercritical extract of Tibetan herba Schizonepetae for inhibiting angiotensin converting enzyme activity, and its preparation method 广州白云山汉方现代药业有限公司 2023-12-26 — — CN disclosed
CN-113943346-B Antihypertensive peptide of spirulina and application 中国科学院海洋研究所 2023-07-04 — — CN disclosed
CN-114195857-B Antihypertensive peptide and preparation method and application thereof 中国科学院海洋研究所 2023-07-04 — — CN disclosed
CN-110105430-B Ginkgo nut protein peptide with angiotensin converting enzyme inhibitory activity and preparation method thereof 合肥工业大学 2023-01-31 — — CN disclosed
Send feedback