SCHEMBL4606802

SCHEMBL4606802

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
MAPT P10636 2/20 0.40
TACR3 P29371 3/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.36
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGFR P00533 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4588810 0.80 CYP2C19 (0.47) CYP2C19HTTALDH1A1MMP1MMP2
SCHEMBL4589971 0.78 ALDH1A1 (0.37) CYP2C19MAPTMEN1LMNAKMT2A
SCHEMBL17465167 0.74 HCAR2 (0.50) MAPTTACR3MEN1LMNAKMT2A
SCHEMBL27666225 0.74 HCAR2 (0.50) MAPTTACR3MEN1LMNAKMT2A
SCHEMBL27720282 0.73 MAPT (0.39) CYP2C19MAPTTACR3MEN1LMNA
SCHEMBL27741031 0.73 MAPT (0.39) CYP2C19MAPTTACR3MEN1LMNA
Methane SCHEMBL27462948 0.73 MAPT (0.43) MAPTTACR3MEN1LMNAKMT2A
SCHEMBL28862367 0.71 MAPT (0.47) MAPTTACR3MEN1LMNAKMT2A
SCHEMBL20482479 0.71 KMT2A (0.48) CYP2C19MAPTTACR3MEN1LMNA
SCHEMBL17844765 0.71 MAPT (0.43) MAPTTACR3MEN1LMNAKMT2A

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
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 WO disclosed