SCHEMBL29912933

SCHEMBL29912933

C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 15/20 0.84
▸ ALDH1A1 P00352 13/20 0.81
▸ HPGD P15428 13/20 0.81
▸ CYP3A4 P08684 3/20 0.81
▸ HSD17B10 Q99714 3/20 0.81
▸ NPSR1 Q6W5P4 3/20 0.81
▸ LMNA P02545 3/20 0.81
▸ TSHR P16473 2/20 0.81
▸ MAPK1 P28482 1/20 0.81
▸ MEN1 O00255 4/20 0.80
▸ KMT2A Q03164 4/20 0.80
▸ HTT P42858 3/20 0.80
▸ MAPT P10636 3/20 0.80
▸ SMN1; SMN2 Q16637 1/20 0.80
▸ RECQL P46063 1/20 0.80
▸ ABCB1 P08183 1/20 0.80
▸ POLB P06746 2/20 0.79
▸ TP53 P04637 2/20 0.76
▸ GAA P10253 2/20 0.76
▸ RCE1 Q9Y256 1/20 0.68

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
SCHEMBL29650634 1.00 KDM4E (0.84) KDM4EALDH1A1HPGDCYP3A4HSD17B10
Suksdorfin SCHEMBL15532093 0.92 KDM4E (1.00) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL27823975 0.92 KDM4E (0.92) KDM4EALDH1A1HPGDCYP3A4HSD17B10
Dihydrosamidin SCHEMBL12062121 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL31682979 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL3380751 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL29377909 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL29912890 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL13363920 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL4759420 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDCYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118986961-A Application of peucedanum praeruptorum in preparation of anti-aging products 电子科技大学 2024-11-22 — — CN disclosed
CN-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 — — CN disclosed
US-20230141921-A1 METHOD AND MEDICINE FOR TREATING HUNTINGTON'S DISEASE TALENGEN INTERNATIONAL LIMITED (CN) 2023-05-11 — — US disclosed
CN-115919992-A Traditional Chinese medicine composition for treating chronic obstructive pulmonary disease and preparation method thereof 张景祖 2023-04-07 — — CN disclosed
CN-115666612-A Method and medicament for treating Huntington's disease 泰伦基国际有限公司 2023-01-31 — — CN disclosed
EP-4122481-A1 METHOD AND MEDICINE FOR TREATING HUNTINGTON'S DISEASE Talengen International Limited (HK) 2023-01-25 — — EP disclosed
CN-112051353-B Gradient full-information thin-layer identification method for radix peucedani medicinal material 浙江金大康动物保健品有限公司 2022-10-11 — — CN disclosed
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