SCHEMBL20033432

SCHEMBL20033432

CCC(=O)N(CCOC)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
PIK3CD O00329 1/20 0.36
NAMPT P43490 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
MLYCD O95822 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL15468345 0.85 EPHX2 (0.40) ALDH1A1MAPK1PIK3CDNAMPTKDM4E
SCHEMBL12763808 0.82 PIK3CD (0.39) ALDH1A1MAPK1PIK3CDNAMPTKDM4E
SCHEMBL16440316 0.82 EPHX2 (0.48) ALDH1A1MAPK1NAMPTKDM4ESMN1; SMN2
SCHEMBL25724268 0.79 PIK3CD (0.37) ALDH1A1MAPK1PIK3CDNAMPTKDM4E
SCHEMBL13496818 0.79 PIK3CD (0.43) ALDH1A1MAPK1PIK3CDNAMPTKDM4E
SCHEMBL9009588 0.79 EPHX2 (0.39) ALDH1A1MAPK1NAMPTKDM4EHPGD
SCHEMBL25594217 0.78 PIK3CD (0.38) ALDH1A1MAPK1PIK3CDNAMPTKDM4E
SCHEMBL16160775 0.78 PIK3CD (0.38) ALDH1A1MAPK1PIK3CDNAMPTKDM4E
SCHEMBL18184074 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL13407587 0.77 ALDH1A1 (0.34) ALDH1A1MAPK1PIK3CDNAMPTKDM4E

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
US-9938234-B2 PPAR agonists SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-04-10 US disclosed