SCHEMBL4656457

SCHEMBL4656457

COCCCCN(Cc1cccc(CCO)c1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
SSTR4 P31391 1/20 0.38
CA14 Q9ULX7 1/20 0.37
LPAR1 Q92633 1/20 0.37
GLS O94925 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
BACE1 P56817 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR4 Q13639 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL1800114 0.92 CYP4F2 (0.42) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL1802397 0.87 HDAC1 (0.43) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL1803367 0.87 HDAC1 (0.41) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL1802424 0.85 HDAC1 (0.38) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL1801655 0.85 HDAC1 (0.38) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL1802651 0.85 HDAC1 (0.41) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL1799531 0.84 CYP4F2 (0.43) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL1803275 0.83 L3MBTL1 (0.39) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL1802804 0.82 BACE1 (0.40) HDAC1HDAC3HDAC2NCOR2CYP4F2
SCHEMBL1801661 0.81 MTNR1A (0.46) HDAC1CYP4F2CYP4A11

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-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed