SCHEMBL9811938

SCHEMBL9811938

CCOC(=O)COc1ccc(CC[C@@H](C)N(C[C@H](O)COc2ccccc2)[C@H](O)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.48
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
POLB P06746 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
SCHEMBL9811982 0.93 ABCB1 (0.47) ABCB1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL11014363 0.93 ABCB1 (0.47) ABCB1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL9811992 0.93 ABCB1 (0.47) ABCB1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL9812008 0.90 ABCB1 (0.53) ABCB1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL9811916 0.83 ABCB1 (0.54) ABCB1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL9812069 0.83 ABCB1 (0.48) ABCB1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL9811912 0.83 ABCB1 (0.47) ABCB1ALDH1A1MAPTNPSR1POLB
SCHEMBL9811919 0.83 ABCB1 (0.47) ABCB1ALDH1A1MAPTNPSR1POLB
SCHEMBL9812093 0.81 ABCB1 (0.51) ABCB1ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL9812011 0.81 ABCB1 (0.51) 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