SCHEMBL28095198

SCHEMBL28095198

COc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
LMNA P02545 2/20 0.79
HPGD P15428 1/20 0.79
HTT P42858 1/20 0.79
ALDH1A1 P00352 4/20 0.77
KDM4E B2RXH2 3/20 0.77
PKM P14618 2/20 0.77
SMN1; SMN2 Q16637 1/20 0.71
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
MAOA P21397 1/20 0.68
MAOB P27338 1/20 0.68
ALOX5 P09917 1/20 0.67
OPRM1 P35372 1/20 0.66
OPRD1 P41143 1/20 0.66
POLB P06746 2/20 0.65
MMP1 P03956 1/20 0.65
MMP2 P08253 1/20 0.65
MMP9 P14780 1/20 0.65
RECQL P46063 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
SCHEMBL29531059 1.00 MAPT (1.00) MAPTLMNAHPGDHTTALDH1A1
SCHEMBL28095200 1.00 MAPT (1.00) MAPTLMNAHPGDHTTALDH1A1
SCHEMBL14148892 1.00 MAPT (1.00) MAPTLMNAHPGDHTTALDH1A1
SCHEMBL32679236 0.90 MAPT (0.84) MAPTLMNAHPGDHTTALDH1A1
SCHEMBL32679235 0.90 MAPT (0.84) MAPTLMNAHPGDHTTALDH1A1
SCHEMBL1917252 0.90 MAPT (0.84) MAPTLMNAHPGDHTTALDH1A1
SCHEMBL29357137 0.90 MAPT (0.84) MAPTLMNAHPGDHTTALDH1A1
SCHEMBL31286546 0.90 MAPT (0.84) MAPTLMNAHPGDHTTALDH1A1
SCHEMBL4812487 0.90 MAPT (0.84) MAPTLMNAHPGDHTTALDH1A1
SCHEMBL1917292 0.90 MAPT (0.84) MAPTLMNAHPGDHTTALDH1A1

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-114315623-B Method for synthesizing xanthoxylin WGX-50 and its derivative in one pot 上海彤颜实业有限公司 2024-02-09 CN disclosed
CN-114917365-A WGX50 cyclodextrin inclusion compound, preparation method, solubility and cyclodextrin inclusion rate determination method 上海彤颜实业有限公司 2022-08-19 CN disclosed
CN-114315623-A Method for synthesizing sanshoamides WGX-50 and derivatives thereof in one pot 上海彤颜实业有限公司 2022-04-12 CN disclosed
CN-103130674-B Prevention and the potential drug gx50 for the treatment of alzheimer's disease, the chemical synthesis process of gx51, gx52, gx180 无锡枫华生物科技有限公司 2016-09-07 CN disclosed