SCHEMBL27720282

SCHEMBL27720282

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TACR3 P29371 1/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
SCN9A Q15858 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
EGFR P00533 1/20 0.34
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL27741031 1.00 MAPT (0.39) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL17844741 0.86 MAPT (0.39) MAPTMEN1KMT2AALDH1A1CYP2C19
SCHEMBL17844812 0.80 MAPT (0.37) MAPTMEN1KMT2AALDH1A1CYP2C19
SCHEMBL11127289 0.80 CYP2C19 (0.37) MAPTKMT2AALDH1A1CYP2C19CYP2D6
SCHEMBL5855848 0.79 HCAR2 (0.44) MAPTLMNAALDH1A1CYP2C19CYP2D6
SCHEMBL20482479 0.78 KMT2A (0.48) MAPTLMNAMEN1KMT2ATACR3
SCHEMBL28862367 0.78 MAPT (0.47) MAPTLMNAMEN1KMT2ATACR3
SCHEMBL29112408 0.77 MAPT (0.46) MAPTLMNAMEN1KMT2ATACR3
SCHEMBL27726323 0.77 MAPT (0.46) MAPTLMNAMEN1KMT2ATACR3
SCHEMBL27726319 0.77 MAPT (0.46) MAPTLMNAMEN1KMT2ATACR3

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