Byakangelicol

Byakangelicol

SCHEMBL28985145

COc1c2ccoc2c(OC[C@H]2OC2(C)C)c2oc(=O)ccc12

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.67
▸ CYP3A4 P08684 5/20 0.67
▸ CYP1A2 P05177 4/20 0.67
▸ CYP1A1 P04798 3/20 0.67
▸ CYP1B1 Q16678 3/20 0.67
▸ POLB P06746 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ ABCG2 Q9UNQ0 1/20 0.65
▸ RECQL P46063 1/20 0.64
▸ ABCB1 P08183 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ ALDH1A1 P00352 6/20 0.61
▸ LMNA P02545 2/20 0.61
▸ THRB P10828 1/20 0.61
▸ GABRA1 P14867 1/20 0.61
▸ GABRB2 P47870 1/20 0.61
▸ KCNA2 P16389 2/20 0.60
▸ ALOX15 P16050 1/20 0.59
▸ BACE1 P56817 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.46

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
Byakangelicol SCHEMBL21986509 1.00 KDM4E (0.67) KDM4ECYP3A4CYP1A2CYP1A1CYP1B1
Byakangelicol SCHEMBL30211376 1.00 KDM4E (0.67) KDM4ECYP3A4CYP1A2CYP1A1CYP1B1
Byakangelicol SCHEMBL30117221 1.00 KDM4E (0.67) KDM4ECYP3A4CYP1A2CYP1A1CYP1B1
SCHEMBL27015460 0.84 CYP1B1 (0.72) KDM4ECYP3A4CYP1A2CYP1A1CYP1B1
Isopimpinellin SCHEMBL498907 0.82 CYP3A4 (1.00) KDM4ECYP3A4CYP1A2CYP1A1CYP1B1
Isopimpinellin SCHEMBL29568822 0.82 CYP3A4 (1.00) KDM4ECYP3A4CYP1A2CYP1A1CYP1B1
Heraclenin SCHEMBL32689650 0.78 RECQL (1.00) KDM4ECYP3A4CYP1A2CYP1B1POLB
Heracleninprangenin SCHEMBL19346337 0.78 RECQL (1.00) KDM4ECYP3A4CYP1A2CYP1B1POLB
Heracleninprangenin SCHEMBL29067650 0.78 RECQL (1.00) KDM4ECYP3A4CYP1A2CYP1B1POLB
Phellopterin SCHEMBL2468854 0.76 CYP1B1 (1.00) KDM4ECYP3A4CYP1A2CYP1A1CYP1B1

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
CN-116183739-B Determination method for analyzing fingerprint of Huoxiang Zhengqi soft capsule 河北省药品医疗器械检验研究院(河北省化妆品检验研究中心) 2025-04-18 — — CN disclosed
CN-116173012-A Application of angelica sinensis brain in preparation of drug for cerebral arterial thrombosis neuroprotection 温州医科大学 2023-05-30 — — CN disclosed
CN-116183739-A Determination method for analyzing fingerprint of Huoxiang Zhengqi soft capsule 河北省药品医疗器械检验研究院(河北省化妆品检验研究中心) 2023-05-30 — — CN disclosed
CN-115980235-A Method for measuring content of 10 coumarin components in radix angelicae 河北省药品医疗器械检验研究院(河北省化妆品检验研究中心) 2023-04-18 — — CN disclosed
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