SCHEMBL8402071

SCHEMBL8402071

COC(=O)Cc1ccc(OCC(C)C(N)C(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.51
ADRB3 P13945 11/20 0.51
ADRB1 P08588 6/20 0.51
GLA P06280 1/20 0.51
CYP2D6 P10635 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP3A4 P08684 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC2A1 P11166 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 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
SCHEMBL8406899 0.91 NPC1 (0.44) ADRB2ADRB3ADRB1GLAADRA1D
SCHEMBL8406235 0.89 ADRB2 (0.39) ADRB2ADRB3ADRB1GLAADRA1D
SCHEMBL8405974 0.89 PPARG (0.44) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL8405100 0.88 MAPT (0.41) ADRB2ADRB3ADRB1GLAADRA1D
SCHEMBL8405122 0.88 MAOB (0.41) ADRB2ADRB1GLAADRA1DADRA1A
SCHEMBL8405788 0.87 CNR2 (0.46) ADRB2ADRB1GLAADRA1DADRA1A
SCHEMBL27306064 0.87 ADRB3 (0.42) ADRB2ADRB3ADRB1GLACYP2D6
SCHEMBL8406380 0.87 NPY5R (0.44) ADRB2ADRB1GLAADRA1DADRA1A
SCHEMBL8405959 0.87 NPY5R (0.44) ADRB2ADRB1GLAADRA1DADRA1A
SCHEMBL27296585 0.87 NPY5R (0.44) ADRB2ADRB1GLAADRA1DADRA1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543662-B1 Aromatic amino-alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses SANKYO CO (JP) 1996-09-18 EP claimed
US-5977374-A 5-(4-hydroxy-OR 4-acetoxy-benzyl)-3- triphenylmethylthiazolidine-2,4-dione and method for producing same SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5635534-A 1-PHENYL-2-(2-PHENYLOXY OR THIO)-1-METHYLETHYL)AMINOETHANOL DERIVATIVES; ALDOSE REDUCTASE INHIBITORS; NONTOXIC; ANTIDIABETIC,-OBESITY,-LIPEMIC AND HYPOGLYCEMIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-06-03 US disclosed