SCHEMBL4715342

SCHEMBL4715342

COc1ccccc1CN(Cc1cccc(CCO)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.53
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
TAS2R14 Q9NYV8 2/20 0.46
ACHE P22303 2/20 0.45
HPGD P15428 1/20 0.44
BCHE P06276 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1797802 0.86 PTGES (0.48) PTGESMEN1KMT2ACYP4F2CYP4A11
SCHEMBL1801358 0.82 BCHE (0.53) MEN1KMT2AACHEBCHEMAPT
SCHEMBL1799798 0.81 ACHE (0.43) PTGESMEN1KMT2ACYP4F2CYP4A11
SCHEMBL1801270 0.80 HDAC1 (0.43) PTGESMEN1KMT2ACYP4F2CYP4A11
SCHEMBL1800052 0.77 HDAC3 (0.46) PTGESMEN1KMT2ATAS2R14ACHE
SCHEMBL15265872 0.76 BCHE (0.48) PTGESMEN1KMT2ATAS2R14HPGD
SCHEMBL27761564 0.76 MEN1 (0.39) PTGESMEN1KMT2ACYP4F2CYP4A11
SCHEMBL1802321 0.76 HDAC1 (0.39) PTGESMEN1KMT2ACYP4F2CYP4A11
SCHEMBL1798300 0.75 HDAC1 (0.42) PTGESCYP4F2CYP4A11L3MBTL1MAPT
SCHEMBL1799921 0.74 ITGA4 (0.43) MEN1KMT2ACYP4F2CYP4A11ACHE

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