SCHEMBL29367201

SCHEMBL29367201

COc1cc(/C=C\C(=O)NCCc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.91

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.91
ACHE P22303 1/20 0.91
MAPT P10636 4/20 0.69
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
PKM P14618 1/20 0.69
APP P05067 1/20 0.69
MAOA P21397 1/20 0.68
MAOB P27338 1/20 0.68
TRPV1 Q8NER1 1/20 0.67
HDAC1 Q13547 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
LMNA P02545 2/20 0.65
HPGD P15428 1/20 0.65
HTT P42858 1/20 0.65
MET P08581 1/20 0.65

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
SCHEMBL1842826 1.00 TYR (0.91) TYRACHEMAPTKDM4EALDH1A1
SCHEMBL31252895 1.00 TYR (0.91) TYRACHEMAPTKDM4EALDH1A1
SCHEMBL1917145 1.00 TYR (0.91) TYRACHEMAPTKDM4EALDH1A1
SCHEMBL29363766 1.00 TYR (0.91) TYRACHEMAPTKDM4EALDH1A1
SCHEMBL4812187 1.00 TYR (0.91) TYRACHEMAPTKDM4EALDH1A1
SCHEMBL17956819 0.96 TYR (0.85) TYRACHEMAPTKDM4EALDH1A1
SCHEMBL12299133 0.96 TYR (0.85) TYRACHEMAPTKDM4EALDH1A1
SCHEMBL17956820 0.96 TYR (0.85) TYRACHEMAPTKDM4EALDH1A1
N-Trans-Feruloyldopamine SCHEMBL31061232 0.95 TYR (1.00) TYRACHEMAPTKDM4EALDH1A1
N-Trans-Feruloyldopamine SCHEMBL1915822 0.95 TYR (1.00) TYRACHEMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114146104-A Anti-inflammatory active extract of achyranthes aspera 湖南时代阳光药业股份有限公司 2022-03-08 CN claimed
CN-110613741-B Anti-inflammatory active extract of achyranthes aspera and preparation method thereof 湖南时代阳光药业股份有限公司 2022-02-01 CN claimed
CN-114146104-A Anti-inflammatory active extract of achyranthes aspera 湖南时代阳光药业股份有限公司 2022-03-08 CN disclosed
CN-114146104-A Anti-inflammatory active extract of achyranthes aspera 湖南时代阳光药业股份有限公司 2022-03-08 CN disclosed
CN-110613741-B Anti-inflammatory active extract of achyranthes aspera and preparation method thereof 湖南时代阳光药业股份有限公司 2022-02-01 CN disclosed