SCHEMBL4595940

SCHEMBL4595940

CC(C)(C)C(NC(=O)O)C(O)c1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ADRB1 P08588 2/20 0.49
ADRA1A P35348 2/20 0.49
MIF P14174 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRB3 P13945 1/20 0.43
TSHR P16473 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
NFKB1 P19838 1/20 0.43
DRD1 P21728 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL4380601 0.85 SLC6A4 (0.47) HIF1ALMNAKDM4EADRA1AHTR2A
SCHEMBL27181475 0.81 HIF1A (0.57) HIF1ALMNAKDM4EADRB1ADRA1A
SCHEMBL4596146 0.81 L3MBTL1 (0.48) LMNAADRA1AHTR1AADRA2ADRD1
SCHEMBL4596177 0.77 SMN1; SMN2 (0.45) LMNAKDM4ESLC6A3GAA
SCHEMBL4596308 0.76 ACHE (0.38) ALDH1A1
SCHEMBL6176448 0.76 LMNA (0.50) HIF1ALMNAKDM4EADRB1ADRA1A
SCHEMBL6176429 0.76 LMNA (0.50) HIF1ALMNAKDM4EADRB1ADRA1A
SCHEMBL2808694 0.76 LMNA (0.50) HIF1ALMNAKDM4EADRB1ADRA1A
SCHEMBL4595851 0.75 ROCK1 (0.39) LMNAKDM4EADRB1ADRB2ADRB3
SCHEMBL5205938 0.75 OPRK1 (0.44) HIF1ALMNAKDM4EADRB1ADRA1A

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-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed