SCHEMBL8873531

SCHEMBL8873531

CC(C)(C)CC1COC(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.34
HTR1D P28221 5/20 0.33
HTR1B P28222 5/20 0.33
HTR1A P08908 2/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR1F P30939 1/20 0.32
IRAK4 Q9NWZ3 3/20 0.31
KCNH2 Q12809 1/20 0.30
CACNA1C Q13936 1/20 0.30
SCN5A Q14524 1/20 0.30
PDCD1LG2 Q9BQ51 2/20 0.30
CD274 Q9NZQ7 2/20 0.30

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
SCHEMBL8873526 1.00 PLG (0.34) PLGHTR1DHTR1BHTR1AKMT2A
SCHEMBL5170319 0.85 KCNH2 (0.33) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL2155869 0.85 KCNH2 (0.33) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL2155119 0.85 IRAK4 (0.32) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL24298899 0.85 IRAK4 (0.32) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL24324048 0.85 KCNH2 (0.33) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL5173514 0.85 IRAK4 (0.32) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL15905687 0.79 HTR1D (0.32) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL15905689 0.79 HTR1D (0.32) HTR1DHTR1BHTR1AKMT2AHTR2A
SCHEMBL1438806 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US disclosed
US-5670652-A REACTION OF NEOPENTYLGLYCINOL WITH CHLOROFORMIC ACID TO FORM ALKYLOXAZOLIDINONE DEGUSSA AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed