SCHEMBL4551254

SCHEMBL4551254

CCOc1ccccc1CNC(=O)CCc1cccc(CC(C)NCC(O[Si](C)(C)C(C)(C)C)c2ccc(C(O)O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.51
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SLC2A1 P11166 1/20 0.38
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRB1 P08588 3/20 0.36
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRB3 P13945 1/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL4255168 0.90 ADRB2 (0.51) ADRB2LMNATP53KMT2AMEN1
SCHEMBL4255165 0.90 ADRB2 (0.51) ADRB2LMNATP53KMT2AMEN1
SCHEMBL4551252 0.86 ADRB2 (0.46) ADRB2LMNATP53THRBKMT2A
SCHEMBL4261135 0.82 ADRB2 (0.59) ADRB2
SCHEMBL6000569 0.82 ADRB2 (0.59) ADRB2
SCHEMBL4261131 0.82 ADRB2 (0.59) ADRB2
SCHEMBL3922079 0.81 KMT2A (0.45) ADRB2LMNATP53KMT2A
SCHEMBL13840672 0.81 KMT2A (0.45) ADRB2LMNATP53KMT2A
SCHEMBL4261007 0.78 ADRB2 (0.66) ADRB2
SCHEMBL4260998 0.78 ADRB2 (0.66) 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-B9 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2009-08-12 EP disclosed
EP-1624868-B1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2008-11-12 EP disclosed