SCHEMBL6694785

SCHEMBL6694785

COCCc1ccc(OCC(C)OC(=O)C(O)C(O)C(=O)OC(C)COc2ccc(CCOC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.57
NPY2R P49146 1/20 0.57
PMP22 Q01453 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ADRB2 P07550 4/20 0.55
ADRB1 P08588 4/20 0.55
CYP2D6 P10635 2/20 0.55
NR3C1 P04150 1/20 0.55
ADRA1A P35348 1/20 0.55
CYP2J2 P51589 1/20 0.55
PDE4D Q08499 1/20 0.55
ADRB3 P13945 2/20 0.45
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
ENPP2 Q13822 1/20 0.40

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
SCHEMBL6694781 0.95 NPY1R (0.65) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL4456681 0.82 NPY1R (0.67) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL6277059 0.79 ADRB1 (0.67) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL7286484 0.78 NPY1R (0.75) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL19944672 0.78 ADRB1 (0.73) NPY1RNPY2RPMP22NPSR1TDP1
Succinic Acid SCHEMBL30100353 0.77 NPY1R (0.58) NPY1RNPY2RPMP22NPSR1TDP1
Metoprolol SCHEMBL2405912 0.75 TDP1 (0.83) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL3719869 0.75 ADRB1 (0.61) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL12122747 0.74 ADRB1 (0.68) NPY1RNPY2RPMP22NPSR1TDP1
SCHEMBL10864310 0.74 ADRB2 (0.57) 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