SCHEMBL28437809

SCHEMBL28437809

CCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
ALDH1A1 P00352 2/20 0.61
POLB P06746 1/20 0.61
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 3/20 0.58
LMNA P02545 3/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALOX5 P09917 3/20 0.50
ABCG2 Q9UNQ0 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGES O14684 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NOTUM Q6P988 1/20 0.45
GABRA2 P47869 1/20 0.45

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
SCHEMBL28443347 0.88 GAA (0.48) GAAALDH1A1POLBHTTSMN1; SMN2
SCHEMBL6137213 0.83 ALDH1A1 (0.54) GAAALDH1A1POLBHTTSMN1; SMN2
SCHEMBL28435242 0.79 MAPT (0.52) GAAALDH1A1POLBHTTSMN1; SMN2
Diethylamine SCHEMBL8883749 0.79 GAA (0.52) GAAALDH1A1POLBHTTSMN1; SMN2
SCHEMBL30209788 0.77 KDM4E (0.61) GAAALDH1A1POLBHTTSMN1; SMN2
SCHEMBL6949718 0.77 GAA (0.56) GAAALDH1A1POLBHTTSMN1; SMN2
SCHEMBL31231118 0.77 GAA (0.56) GAAALDH1A1POLBHTTSMN1; SMN2
SCHEMBL30686655 0.77 GAA (0.56) GAAALDH1A1POLBHTTSMN1; SMN2
SCHEMBL6956135 0.76 SMN1; SMN2 (0.62) GAAALDH1A1POLBHTTSMN1; SMN2
SCHEMBL11017680 0.76 HTT (0.76) GAAALDH1A1POLBHTTSMN1; 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-111518024-A Preparation method of two high-purity felodipine impurities 山东省药学科学院 2020-08-11 CN disclosed