SCHEMBL6529111

SCHEMBL6529111

CC(C)(C)OC(=O)N(N)C(=O)c1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.46
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EPHX2 P34913 2/20 0.39
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC7A5 Q01650 1/20 0.35
NR1H4 Q96RI1 3/20 0.34
ELANE P08246 1/20 0.34
CA12 O43570 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
SCHEMBL2937645 0.83 GPR119 (0.47) GPR119HDAC3HDAC1HDAC2NCOR2
SCHEMBL5737167 0.83 MAPT (0.42) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL4514786 0.81 ALDH1A1 (0.43) HDAC3HDAC1HDAC2NCOR2HPGD
SCHEMBL9746186 0.80 GPR119 (0.43) GPR119HDAC3HDAC1HDAC2NCOR2
SCHEMBL1019092 0.75 CA1 (0.50) GPR119PPARGPPARAEPHX2ADRB2
SCHEMBL29067296 0.74 GPR119 (0.45) GPR119HPGDSMN1; SMN2
SCHEMBL7531272 0.73 PAX8 (0.50) GPR119HDAC3HDAC1HDAC2NCOR2
SCHEMBL1935308 0.73 PPARG (0.46) GPR119HDAC3HDAC1HDAC2NCOR2
SCHEMBL3745549 0.73 HDAC3 (0.60) HDAC3HDAC1HDAC2NCOR2PPARG
SCHEMBL3376998 0.72 NOS1 (0.47) GPR119PPARGPPARAPRSS1PRSS2

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-1601384-A1 METHODS OF RADIOFLUORINATION OF BIOLOGICALLY ACTIVE VECTORS Amersham Health AS (NO) 2005-12-07 EP disclosed
WO-2004080492-A1 METHODS OF RADIOFLUORINATION OF BIOLOGICALLY ACTIVE VECTORS AMERSHAM HEALTH AS (NO) 2004-09-23 WO disclosed