SCHEMBL28745065

SCHEMBL28745065

COc1cc(OCC=C(C)C)cc2oc(=O)ccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.70
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 6/20 0.64
HPGD P15428 4/20 0.64
CYP3A4 P08684 4/20 0.64
HSD17B10 Q99714 3/20 0.64
GLA P06280 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
MTNR1A P48039 2/20 0.63
MAPT P10636 4/20 0.61
GAA P10253 1/20 0.61
PDE4D Q08499 2/20 0.58
CYP1B1 Q16678 2/20 0.57
LMNA P02545 1/20 0.57
ACHE P22303 1/20 0.57
MAPK1 P28482 2/20 0.54
CASP1 P29466 2/20 0.54
CASP7 P55210 2/20 0.54
ALOX15 P16050 5/20 0.52
TDP1 Q9NUW8 3/20 0.52

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
SCHEMBL28772330 0.90 ALDH1A1 (0.64) MAOBALDH1A1KDM4EHPGDCYP3A4
SCHEMBL29046813 0.85 ALDH1A1 (0.68) MAOBALDH1A1KDM4EHPGDCYP3A4
SCHEMBL15842471 0.81 KDM4E (0.75) MAOBALDH1A1KDM4EHPGDCYP3A4
SCHEMBL1714204 0.81 ALOX15 (0.70) MAOBALDH1A1KDM4EHPGDCYP3A4
SCHEMBL1714211 0.81 ALOX15 (0.70) MAOBALDH1A1KDM4EHPGDCYP3A4
SCHEMBL31135288 0.81 ALOX15 (0.70) MAOBALDH1A1KDM4EHPGDCYP3A4
Citropten SCHEMBL29425178 0.79 ALDH1A1 (1.00) MAOBALDH1A1KDM4EHPGDCYP3A4
Citropten SCHEMBL516577 0.79 ALDH1A1 (1.00) MAOBALDH1A1KDM4EHPGDCYP3A4
7-Prenyloxycoumarin SCHEMBL4898255 0.78 KDM4E (1.00) MAOBALDH1A1KDM4EHPGDCYP3A4
SCHEMBL18292782 0.77 NDUFS8 (0.80) ALDH1A1KDM4EHPGDCYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456138-B Method for separating three coumarin compounds from fingered citron extract 金华高等研究院(金华理工学院筹建工作领导小组办公室) 2024-06-04 CN claimed
CN-114456138-A Method for separating three coumarin compounds from fingered citron extract 金华高等研究院(金华理工学院筹建工作领导小组办公室) 2022-05-10 CN claimed
CN-114456138-B Method for separating three coumarin compounds from fingered citron extract 金华高等研究院(金华理工学院筹建工作领导小组办公室) 2024-06-04 CN disclosed
CN-114456138-B Method for separating three coumarin compounds from fingered citron extract 金华高等研究院(金华理工学院筹建工作领导小组办公室) 2024-06-04 CN disclosed
CN-114456138-A Method for separating three coumarin compounds from fingered citron extract 金华高等研究院(金华理工学院筹建工作领导小组办公室) 2022-05-10 CN disclosed
CN-114456138-A Method for separating three coumarin compounds from fingered citron extract 金华高等研究院(金华理工学院筹建工作领导小组办公室) 2022-05-10 CN disclosed