SCHEMBL9811995

SCHEMBL9811995

COC(=O)COc1ccc(C[C@@H](C)N[C@H](O)Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.54
ADRB1 P08588 2/20 0.54
ADRB3 P13945 2/20 0.54
GLA P06280 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LTA4H P09960 2/20 0.47
MAPT P10636 1/20 0.46
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL9811885 0.89 ADRB2 (0.53) ADRB2ADRB1ADRB3L3MBTL1LTA4H
SCHEMBL9811884 0.87 ADRB2 (0.54) ADRB2ADRB1ADRB3MEN1KMT2A
Hydrochloric Acid SCHEMBL9812082 0.85 SIGMAR1 (0.57) ADRB2ADRB1ADRB3GLAMEN1
Hydrochloric Acid SCHEMBL9812083 0.81 SLC2A1 (0.60) ADRB2ADRB1ADRB3GLAMEN1
SCHEMBL8880483 0.81 GLA (0.55) ADRB2ADRB1ADRB3GLAMEN1
SCHEMBL11247530 0.81 ADRB3 (0.77) ADRB2ADRB1ADRB3GLAADRA1D
SCHEMBL11251142 0.81 ADRB3 (0.77) ADRB2ADRB1ADRB3GLAADRA1D
SCHEMBL9812030 0.80 SMN1; SMN2 (0.50) ADRB2ADRB1ADRB3LTA4HMAPT
SCHEMBL9811917 0.80 SIGMAR1 (0.54) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL9684241 0.80 ADRB1 (0.65) ADRB2ADRB1ADRB3GLAMEN1

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-0170121-B1 2-HYDROXY-3-ARYLOXYPROPYL OR 2-HYDROXY-2-BENZOFURANYL ETHYL TERTIARY AMINE HAVING AN ANTI-HYPERGLYCAEMIC AND/OR ANTI-OBESITY ACTIVITY BEECHAM GROUP PLC (GB) 1991-06-19 EP disclosed
EP-0170121-A1 2-Hydroxy-3-aryloxypropyl or 2-hydroxy-2-benzofuranyl ethyl tertiary amine having an anti-hyperglycaemic and/or anti-obesity activity BEECHAM GROUP PLC (GB) 1986-02-05 EP disclosed