SCHEMBL27720281

SCHEMBL27720281

C=CCOC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
CTSK P43235 5/20 0.47
CTSS P25774 4/20 0.47
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL27741029 1.00 MAPT (0.53) MAPTCTSKCTSSPPARAPPARG
SCHEMBL7757120 0.84 CTSK (0.51) MAPTCTSKCTSSPPARAPPARG
SCHEMBL17846052 0.84 CTSK (0.51) MAPTCTSKCTSSPPARAPPARG
SCHEMBL17846011 0.83 CASP1 (0.42) ALDH1A1CASP1
SCHEMBL4517527 0.83 CASP1 (0.42) ALDH1A1CASP1
SCHEMBL4511124 0.83 CASP1 (0.42) ALDH1A1CASP1
SCHEMBL19348998 0.82 CTSK (0.49) MAPTCTSKCTSSPPARAPPARG
SCHEMBL19312176 0.82 PPARA (0.65) MAPTCTSKCTSSPPARAPPARG
SCHEMBL13184604 0.82 PPARA (0.65) MAPTCTSKCTSSPPARAPPARG
SCHEMBL19349000 0.82 CTSK (0.49) MAPTCTSKCTSSPPARAPPARG

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-101300239-A 7- (2-amino-1-hydroxy-ethyl) -4-hydroxybenzothiazol-2 (3H) -one derivatives as beta 2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2008-11-05 CN disclosed