SCHEMBL30615017

SCHEMBL30615017

N#CC=C1C=CC(O)CC1OC1OC(CO)C(O)C(O)C1O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
MAPT P10636 1/20 0.39
SYNJ2 O15056 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ACHE P22303 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TYR P14679 1/20 0.36
GJA1 P17302 1/20 0.36
GJB2 P29033 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL30089929 1.00 PTPN1 (0.44) PTPN1MAPTSYNJ2MEN1KMT2A
Griffonin SCHEMBL20995242 0.79 MAPT (0.43) PTPN1MAPTMEN1KMT2AACHE
Griffonin SCHEMBL28797041 0.79 MAPT (0.43) PTPN1MAPTMEN1KMT2AACHE
Griffonin SCHEMBL21034801 0.79 MAPT (0.43) PTPN1MAPTMEN1KMT2AACHE
Griffonin SCHEMBL21034847 0.79 MAPT (0.43) PTPN1MAPTMEN1KMT2AACHE
SCHEMBL29586077 0.76 PTPN1 (0.40) PTPN1MAPTMEN1KMT2AACHE
SCHEMBL5791294 0.74 MAPT (0.40) PTPN1MAPTSYNJ2MEN1KMT2A
SCHEMBL21035198 0.71 PTPN1 (0.35) PTPN1MAPTMEN1KMT2AL3MBTL1
Simmondsin SCHEMBL24484258 0.70 MAPT (0.39) PTPN1MAPTSYNJ2MEN1KMT2A
Simmondsin SCHEMBL29466685 0.70 MAPT (0.39) PTPN1MAPTSYNJ2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561751-A Method for preparing (-) -N-O-menidaurine A from rhizoma Menispermi 上海历鼎生物技术有限公司 2024-08-30 CN claimed
CN-118026931-A Preparation process for separating (-) -7' -hydroxymethy-menidaurine A from rhizoma Menispermi 上海历鼎生物技术有限公司 2024-05-14 CN claimed
CN-118561751-A Method for preparing (-) -N-O-menidaurine A from rhizoma Menispermi 上海历鼎生物技术有限公司 2024-08-30 CN disclosed
CN-118561751-A Method for preparing (-) -N-O-menidaurine A from rhizoma Menispermi 上海历鼎生物技术有限公司 2024-08-30 CN disclosed
CN-118561751-A Method for preparing (-) -N-O-menidaurine A from rhizoma Menispermi 上海历鼎生物技术有限公司 2024-08-30 CN disclosed
CN-118026931-A Preparation process for separating (-) -7' -hydroxymethy-menidaurine A from rhizoma Menispermi 上海历鼎生物技术有限公司 2024-05-14 CN disclosed
CN-118026931-A Preparation process for separating (-) -7' -hydroxymethy-menidaurine A from rhizoma Menispermi 上海历鼎生物技术有限公司 2024-05-14 CN disclosed
CN-118026931-A Preparation process for separating (-) -7' -hydroxymethy-menidaurine A from rhizoma Menispermi 上海历鼎生物技术有限公司 2024-05-14 CN disclosed
CN-113214154-B Tribenzyl isoquinoline alkaloid, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-10-20 CN disclosed