SCHEMBL5542466

SCHEMBL5542466

CC(C)C(C)(C)C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.56
PDK2 Q15119 2/20 0.56
PDK3 Q15120 2/20 0.56
PDK4 Q16654 2/20 0.56
MAPT P10636 3/20 0.50
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSP90AA1 P07900 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
GAA P10253 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
MMP8 P22894 1/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL10760415 0.80 PDK1 (0.51) PDK1PDK2PDK3PDK4MAPT
SCHEMBL83110 0.79 L3MBTL1 (0.78) PDK1PDK2PDK3PDK4MAPT
SCHEMBL14849461 0.79 PDK1 (0.63) PDK1PDK2PDK3PDK4MAPT
SCHEMBL5542669 0.79 HSD17B10 (0.51) MAPTHSD17B10L3MBTL1MEN1ALDH1A1
SCHEMBL11170920 0.78 MAPT (0.54) PDK1PDK2PDK3PDK4MAPT
SCHEMBL8442488 0.78 PDK1 (0.53) PDK1PDK2PDK3PDK4MAPT
SCHEMBL3129785 0.78 PDK1 (0.67) PDK1PDK2PDK3PDK4MAPT
SCHEMBL436619 0.78 PDK1 (0.61) PDK1PDK2PDK3PDK4MAPT
SCHEMBL5535758 0.78 LMNA (0.52) MAPTL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL20684670 0.78 GAA (0.51) PDK1PDK2PDK3PDK4MAPT

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
US-20210173309-A1 METHOD OF FORMING REVERSED PATTERN AND METHOD OF MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2021-06-10 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed