SCHEMBL5704262

SCHEMBL5704262

CC(C)(C)OC(=O)N(CCc1ccc(-c2ccc(CC(=O)O)c(OC3CCCCC3)c2)cc1)CCc1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.40
ADRB1 P08588 7/20 0.40
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
ENPP2 Q13822 1/20 0.36
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
LPAR1 Q92633 2/20 0.35
HDAC1 Q13547 1/20 0.35
CFD P00746 1/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
SLC6A9 P48067 1/20 0.34

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
SCHEMBL4584438 0.87 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL4584446 0.87 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL4584178 0.81 ADRB3 (0.53) ADRB3ADRB1
SCHEMBL4584174 0.81 ADRB3 (0.53) ADRB3ADRB1
SCHEMBL5703671 0.74 ADRB3 (0.49) ADRB3ADRB1PDE4APDE4BPDE4C
SCHEMBL5703670 0.74 ADRB3 (0.51) ADRB3ADRB1
SCHEMBL5704140 0.74 ADRB3 (0.49) ADRB3ADRB1PDE4APDE4BPDE4C
SCHEMBL4584058 0.71 ADRB3 (0.62) ADRB3ADRB1
SCHEMBL4584057 0.71 ADRB3 (0.62) ADRB3ADRB1
SCHEMBL1622608 0.71 ADRB3 (0.42) ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed