SCHEMBL6694781

SCHEMBL6694781

COCCc1ccc(OCC(C)OC(=O)C(O)C(O)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.65
NPY2R P49146 1/20 0.65
PMP22 Q01453 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ADRB2 P07550 3/20 0.51
ADRB1 P08588 3/20 0.51
CYP2D6 P10635 2/20 0.51
NR3C1 P04150 1/20 0.51
ADRA1A P35348 1/20 0.51
CYP2J2 P51589 1/20 0.51
PDE4D Q08499 1/20 0.51
ADRB3 P13945 1/20 0.42
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
ABCB1 P08183 2/20 0.38

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
SCHEMBL6694785 0.95 NPY1R (0.57) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL7286484 0.83 NPY1R (0.75) NPY1RNPY2RPMP22NPSR1TDP1
Metoprolol SCHEMBL2405912 0.80 TDP1 (0.83) NPY1RNPY2RPMP22NPSR1TDP1
Metoprolol SCHEMBL29995613 0.79 TDP1 (1.00) NPY1RNPY2RPMP22NPSR1TDP1
Metoprolol SCHEMBL29367290 0.79 TDP1 (1.00) NPY1RNPY2RPMP22NPSR1TDP1
Metoprolol SCHEMBL19211129 0.79 TDP1 (1.00) NPY1RNPY2RPMP22NPSR1TDP1
Metoprolol SCHEMBL4881939 0.79 TDP1 (1.00) NPY1RNPY2RPMP22NPSR1TDP1
Metoprolol SCHEMBL41104 0.79 TDP1 (1.00) NPY1RNPY2RPMP22NPSR1TDP1
(S)-Metoprolol SCHEMBL141366 0.79 TDP1 (1.00) NPY1RNPY2RPMP22NPSR1TDP1
Metoprolol SCHEMBL1649321 0.79 TDP1 (1.00) NPY1RNPY2RPMP22NPSR1TDP1

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-1443901-A2 SOLUBLE DRUG EXTENDED RELEASE SYSTEM Yamanouchi Pharma Technologies, Inc. (US) 2004-08-11 EP disclosed
WO-2003041656-A2 SOLUBLE DRUG EXTENDED RELEASE SYSTEM YAMANOUCHI PHARMA TECHNOLOGIES, INC. (US) 2003-05-22 WO disclosed