SCHEMBL28917005

SCHEMBL28917005

COc1ccc(C(=O)C(=O)N2CCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.70
SMN1; SMN2 Q16637 5/20 0.63
HTT P42858 2/20 0.63
ALOX15 P16050 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
TP53 P04637 1/20 0.62
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
CES2 O00748 2/20 0.60
CES1 P23141 2/20 0.60
ALOX5 P09917 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL28916574 0.98 HPGD (0.68) HPGDSMN1; SMN2HTTALOX15L3MBTL1
SCHEMBL28614894 0.85 BLM (0.62) HPGDSMN1; SMN2ALDH1A1MAPTCES2
SCHEMBL29209365 0.83 HPGD (0.66) HPGDSMN1; SMN2HTTALOX15L3MBTL1
SCHEMBL2534411 0.82 HPGD (1.00) HPGDSMN1; SMN2HTTALOX15L3MBTL1
SCHEMBL2535536 0.81 HPGD (0.96) HPGDSMN1; SMN2HTTALOX15L3MBTL1
SCHEMBL28916562 0.80 CES2 (0.56) HPGDSMN1; SMN2HTTALDH1A1MAPT
SCHEMBL18352035 0.79 SMN1; SMN2 (0.49) HPGDSMN1; SMN2HTTALOX15L3MBTL1
Hydrochloric Acid SCHEMBL5213430 0.79 HPGD (0.93) HPGDSMN1; SMN2HTTALOX15L3MBTL1
SCHEMBL28916556 0.79 RAB9A (0.57) HPGDSMN1; SMN2ALDH1A1MAPTCES2
SCHEMBL14019821 0.77 HPGD (0.87) HPGDSMN1; SMN2HTTALOX15L3MBTL1

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-115504946-B Method for synthesizing alpha-ketoamide compound 武汉工程大学 2023-12-15 CN disclosed
CN-115504946-A Method for synthesizing alpha-keto amide compound 武汉工程大学 2022-12-23 CN disclosed