SCHEMBL9811944

SCHEMBL9811944

CCOC(=O)COc1ccc(CCC(C)N(CCc2ccccc2O)CC(O)COc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.42
ABCB1 P08183 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 1/20 0.39
KCNH2 Q12809 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL9811896 0.93 ABCB1 (0.40) ABCB1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL9812018 0.90 ABCB1 (0.43) BCHEABCB1ALDH1A1CYP1A2CYP2D6
SCHEMBL9812070 0.84 KCNH2 (0.41) ABCB1ALDH1A1KCNH2HPGD
SCHEMBL9812019 0.83 ABCB1 (0.43) ABCB1ALDH1A1CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL9811907 0.83 KCNH2 (0.41) ABCB1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL9811971 0.81 ABCB1 (0.42) ABCB1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL9811960 0.81 ABCB1 (0.42) ABCB1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL9811912 0.80 ABCB1 (0.47) ABCB1ALDH1A1MAPTNPSR1HPGD
SCHEMBL9811919 0.80 ABCB1 (0.47) ABCB1ALDH1A1MAPTNPSR1HPGD
SCHEMBL9811938 0.80 ABCB1 (0.48) ABCB1ALDH1A1CYP1A2CYP2D6MAPT

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 4 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 claimed
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 claimed
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