SCHEMBL28958982

SCHEMBL28958982

CCOC(=O)CCC(=NO)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.57
TP53 P04637 2/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL30421819 1.00 TBXAS1 (0.57) TBXAS1TP53GAAL3MBTL1ALDH1A1
SCHEMBL6158655 0.83 TBXAS1 (0.58) TBXAS1TP53GAAL3MBTL1ALDH1A1
SCHEMBL28959007 0.83 SMN1; SMN2 (0.51) TBXAS1GAAL3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL11375570 0.82 TBXAS1 (0.57) TBXAS1TP53GAAL3MBTL1ALDH1A1
SCHEMBL11069056 0.79 L3MBTL1 (0.45) TBXAS1GAAL3MBTL1ALDH1A1KMT2A
SCHEMBL28958974 0.78 ALDH1A1 (0.45) GAAL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL28958971 0.77 NLRP3 (0.46) GAAL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL4842656 0.76 L3MBTL1 (0.50) TBXAS1TP53GAAL3MBTL1ALDH1A1
SCHEMBL6157692 0.76 L3MBTL1 (0.50) TBXAS1TP53GAAL3MBTL1ALDH1A1
SCHEMBL4842653 0.76 L3MBTL1 (0.50) TBXAS1TP53GAAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621115-B Method for synthesizing oxime compounds under photocatalysis condition 河南大学 2023-05-23 CN disclosed
CN-114621115-A Method for synthesizing oxime compound under photocatalysis condition 河南大学 2022-06-14 CN disclosed