SCHEMBL10864310

SCHEMBL10864310

COCCc1ccc(OC[C@@H](O)C=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.57
ADRB1 P08588 5/20 0.57
CYP2D6 P10635 2/20 0.57
NR3C1 P04150 1/20 0.57
ADRA1A P35348 1/20 0.57
CYP2J2 P51589 1/20 0.57
PDE4D Q08499 1/20 0.57
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
PMP22 Q01453 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ADRB3 P13945 4/20 0.51
ENPP2 Q13822 1/20 0.43
FFAR1 O14842 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL19944672 0.82 ADRB1 (0.73) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL6277059 0.81 ADRB1 (0.67) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL3719869 0.80 ADRB1 (0.61) ADRB2ADRB1CYP2D6NR3C1ADRA1A
Succinic Acid SCHEMBL30100353 0.78 NPY1R (0.58) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL9598039 0.78 ADRB1 (0.68) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL18034999 0.78 ADRB2 (0.68) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL9599229 0.78 ADRB1 (0.68) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL19043242 0.78 ADRB2 (0.48) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL7215333 0.77 ADRB1 (0.66) ADRB2ADRB1CYP2D6NR3C1ADRA1A
SCHEMBL11093561 0.77 ADRB2 (0.66) ADRB2ADRB1CYP2D6NR3C1ADRA1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0179031-A2 Method for the synthesis of pharmacologically active aryloxypropanol amine compounds Aktiebolaget Hässle (SE) 1986-04-23 EP disclosed