SCHEMBL9811936

SCHEMBL9811936

COC(=O)c1ccc(C[C@@H](C)N(C[C@@H](O)COc2ccccc2)C[C@@H](O)COc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
ABCB1 P08183 4/20 0.53
ADRB1 P08588 3/20 0.51
ADRB3 P13945 3/20 0.51
ADRB2 P07550 2/20 0.51
MAPT P10636 3/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL9683362 1.00 GAA (0.59) GAATSHRLMNAALDH1A1ABCB1
SCHEMBL9811937 1.00 GAA (0.59) GAATSHRLMNAALDH1A1ABCB1
SCHEMBL9685205 1.00 GAA (0.59) GAATSHRLMNAALDH1A1ABCB1
SCHEMBL9787263 0.94 GAA (0.53) GAATSHRLMNAALDH1A1ABCB1
SCHEMBL9787273 0.94 GAA (0.53) GAATSHRLMNAALDH1A1ABCB1
SCHEMBL9811990 0.90 ABCB1 (0.56) GAATSHRLMNAALDH1A1ABCB1
SCHEMBL9811973 0.90 ABCB1 (0.56) GAATSHRLMNAALDH1A1ABCB1
SCHEMBL9812089 0.90 ABCB1 (0.56) GAATSHRLMNAALDH1A1ABCB1
SCHEMBL9683688 0.88 ABCB1 (0.55) LMNAALDH1A1ABCB1MAPTSMN1; SMN2
SCHEMBL9683677 0.88 ABCB1 (0.55) LMNAALDH1A1ABCB1MAPTSMN1; SMN2

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