SCHEMBL9811883

SCHEMBL9811883

COC(=O)c1ccc(CC(C)N(CCc2ccccc2O)CC(O)COc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
ABCB1 P08183 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 1/20 0.41
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40

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
Hydrochloric Acid SCHEMBL9812043 0.99 GAA (0.48) GAATSHRALDH1A1LMNAADRB2
SCHEMBL9812058 0.92 ABCB1 (0.46) ALDH1A1ABCB1MAPTKCNH2MEN1
SCHEMBL9812070 0.88 KCNH2 (0.41) ALDH1A1LMNAADRB2ADRB1ADRB3
SCHEMBL9685205 0.87 GAA (0.59) GAATSHRALDH1A1LMNAADRB2
SCHEMBL9683362 0.87 GAA (0.59) GAATSHRALDH1A1LMNAADRB2
SCHEMBL9811936 0.87 GAA (0.59) GAATSHRALDH1A1LMNAADRB2
SCHEMBL9811937 0.87 GAA (0.59) GAATSHRALDH1A1LMNAADRB2
SCHEMBL9812019 0.87 ABCB1 (0.43) ALDH1A1ADRB2ADRB1ADRB3ABCB1
Hydrochloric Acid SCHEMBL9811907 0.87 KCNH2 (0.41) ALDH1A1ADRB2ADRB1ADRB3ABCB1
SCHEMBL9811971 0.85 ABCB1 (0.42) TSHRALDH1A1LMNAADRB2ADRB1

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