SCHEMBL28587136

SCHEMBL28587136

CCN(CC)CCOc1cc(O)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 7/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.44
MAOB P27338 1/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
BIRC5 O15392 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MIF P14174 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL27827480 0.84 MAPT (0.52) KDM4EALDH1A1KMT2ALMNAMAPT
SCHEMBL25725903 0.83 AKR1C3 (0.55) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL10542203 0.81 MAPT (0.57) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL7040004 0.80 NPC1 (0.68) KDM4EALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL8944451 0.80 NPC1 (0.49) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL2976365 0.77 MAPT (0.50) ALDH1A1KMT2ALMNAMAOBMAPT
SCHEMBL16770471 0.77 NPC1 (0.73) KDM4EALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL28776670 0.77 ALDH1A1 (0.52) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL2890893 0.76 MAPT (0.51) KDM4EALDH1A1KMT2ALMNAMAOB
SCHEMBL1665803 0.76 MAPT (0.55) KDM4EALDH1A1KMT2ALMNAMAOB

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-112931143-B Seedling raising matrix special for mangoes and preparation method 广西大学 2023-07-04 CN claimed
CN-112931143-A Special seedling raising substrate for mangoes and preparation method 广西大学 2021-06-11 CN claimed
CN-112931143-B Seedling raising matrix special for mangoes and preparation method 广西大学 2023-07-04 CN disclosed
CN-112931143-B Seedling raising matrix special for mangoes and preparation method 广西大学 2023-07-04 CN disclosed
CN-112931143-A Special seedling raising substrate for mangoes and preparation method 广西大学 2021-06-11 CN disclosed
CN-112931143-A Special seedling raising substrate for mangoes and preparation method 广西大学 2021-06-11 CN disclosed