SCHEMBL9811896

SCHEMBL9811896

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.40
ESR1 P03372 1/20 0.39
KCNH2 Q12809 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL9811944 0.93 BCHE (0.42) ABCB1ESR1KCNH2HPGDALDH1A1
SCHEMBL9812070 0.91 KCNH2 (0.41) ABCB1KCNH2HPGDALDH1A1KDM4E
SCHEMBL9812019 0.90 ABCB1 (0.43) ABCB1KCNH2ALDH1A1MAPTCYP1A2
Hydrochloric Acid SCHEMBL9811907 0.90 KCNH2 (0.41) ABCB1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL9811971 0.89 ABCB1 (0.42) ABCB1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL9811919 0.88 ABCB1 (0.47) ABCB1HPGDALDH1A1MAPTNPSR1
SCHEMBL9811912 0.88 ABCB1 (0.47) ABCB1HPGDALDH1A1MAPTNPSR1
SCHEMBL9812058 0.86 ABCB1 (0.46) ABCB1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL9812006 0.85 KCNH2 (0.41) ABCB1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL9811883 0.83 GAA (0.48) ABCB1KCNH2ALDH1A1MAPTCYP1A2

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