SCHEMBL6853058

SCHEMBL6853058

COC(=O)CCc1cccc(C[C@@H](C)NC[C@@H](O[Si](C)(C)C(C)(C)C)c2ccc(O)c(CO)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.48
ADRB1 P08588 1/20 0.36

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
SCHEMBL4253749 1.00 ADRB2 (0.48) ADRB2ADRB1
SCHEMBL4255093 0.93 ADRB2 (0.51) ADRB2ADRB1
SCHEMBL4255091 0.93 ADRB2 (0.51) ADRB2ADRB1
SCHEMBL13589426 0.92 ADRB2 (0.53) ADRB2
SCHEMBL4256662 0.88 ADRB2 (0.40) ADRB2ADRB1
SCHEMBL4012853 0.87 ADRB2 (0.56) ADRB2
SCHEMBL4012850 0.87 ADRB2 (0.56) ADRB2
SCHEMBL4253746 0.87 ADRB2 (0.52) ADRB2ADRB1
SCHEMBL4255206 0.87 ADRB2 (0.51) ADRB2
SCHEMBL4261671 0.87 ADRB2 (0.51) ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477167-A1 [(2-hydroxy-2-(4-hydroxy-3-hydroxymethylphenyl)-ethylamino)-propyl] phenyl derivatives as beta2 agonists Pfizer Limited (GB) 2004-11-17 EP disclosed