SCHEMBL5999738

SCHEMBL5999738

CC(Cc1cccc(CC(=O)NCc2ccc(C(=O)O)cc2)c1)NCC(O[Si](C)(C)C(C)(C)C)c1ccc(O)c(CO)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.64
CASP3 P42574 1/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL4013650 1.00 ADRB2 (0.64) ADRB2CASP3CASP6
SCHEMBL4013647 1.00 ADRB2 (0.64) ADRB2CASP3CASP6
SCHEMBL4258495 0.95 ADRB2 (0.71) ADRB2
SCHEMBL4258497 0.95 ADRB2 (0.71) ADRB2
SCHEMBL4010820 0.94 ADRB2 (0.61) ADRB2
SCHEMBL4010825 0.94 ADRB2 (0.61) ADRB2
SCHEMBL4261097 0.93 ADRB2 (0.60) ADRB2
SCHEMBL4261104 0.93 ADRB2 (0.60) ADRB2
SCHEMBL5999190 0.92 ADRB2 (0.59) ADRB2
SCHEMBL4260747 0.92 ADRB2 (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1624868-A1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS Pfizer Limited (GB) 2006-02-15 EP disclosed
WO-2004100950-A1 ‘(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)-PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LIMITED (GB) 2004-11-25 WO disclosed