SCHEMBL28959017

SCHEMBL28959017

CCOC(=O)CCC(=NO)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 4/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN1 P18031 1/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
PARP1 P09874 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 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
SCHEMBL28959007 0.91 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6157238 0.86 SMN1; SMN2 (0.48) ALDH1A1MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL6157237 0.86 SMN1; SMN2 (0.48) ALDH1A1MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL6157231 0.86 SMN1; SMN2 (0.48) ALDH1A1MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL28958971 0.85 NLRP3 (0.46) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
Succinic Acid Diethyl Ester SCHEMBL27940678 0.83 SMN1; SMN2 (0.62) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6158755 0.82 TBXAS1 (0.49) HDAC8ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6158754 0.82 TBXAS1 (0.49) HDAC8ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28959008 0.82 SMN1; SMN2 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6158750 0.82 TBXAS1 (0.49) HDAC8ALDH1A1MEN1KMT2ASMN1; SMN2

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

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