SCHEMBL27945596

SCHEMBL27945596

CC(C)(C)NC(=O)OCC(c1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TNF P01375 8/20 0.44
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL15207986 0.76 ALDH1A1 (0.38) ALDH1A1TNFPDE4APDE4BPDE4C
SCHEMBL28358769 0.76 KCNJ1 (0.45)
SCHEMBL28170860 0.76 MAPT (0.47) L3MBTL1POLBKDM4EROCK2ROCK1
SCHEMBL27864179 0.75 MAPT (0.44) ALDH1A1KDM4EMAPTLMNA
SCHEMBL10447571 0.75 UTS2R (0.54) ALDH1A1HSD17B10L3MBTL1TNFPDE4A
SCHEMBL8242699 0.75 UTS2R (0.54) ALDH1A1HSD17B10L3MBTL1TNFPDE4A
SCHEMBL27770762 0.74 MAPT (0.46) L3MBTL1ROCK2ROCK1MAPTLMNA
SCHEMBL6693021 0.73 TNF (0.70) ALDH1A1HSD17B10L3MBTL1TNFPDE4A
SCHEMBL10319232 0.73 UTS2R (0.56) ALDH1A1HSD17B10L3MBTL1TNFPDE4A
SCHEMBL10318216 0.73 UTS2R (0.56) ALDH1A1HSD17B10L3MBTL1TNFPDE4A

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-103429593-A Imidazo pyrazines HOFFMANN LA ROCHE 2013-12-04 CN disclosed