SCHEMBL5078071

SCHEMBL5078071

CC(C)(C)OC(=O)N1CC=C(OS(=O)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.43
GRM5 P41594 11/20 0.42
GRM1 Q13255 11/20 0.42
NAMPT P43490 1/20 0.40
ESR2 Q92731 1/20 0.39
NR1H2 P55055 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
HTR6 P50406 1/20 0.38
ADORA1 P30542 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL25511971 0.93 PDK4 (0.39) PDK4GRM5GRM1NAMPTESR2
SCHEMBL15615840 0.80 PDK4 (0.46) PDK4GRM5GRM1NAMPTESR2
SCHEMBL14897952 0.80 ESR2 (0.39) ESR2NR1H2GPR119ADORA1USP2
SCHEMBL2950438 0.79 GRM1 (0.46) PDK4GRM5GRM1NAMPTESR2
SCHEMBL29233999 0.79 PDK4 (0.46) PDK4GRM5GRM1NAMPTESR2
SCHEMBL18293252 0.78 PDK4 (0.48) PDK4GRM5GRM1NAMPTESR2
SCHEMBL10225837 0.78 GRM5 (0.46) PDK4GRM5GRM1NAMPTESR2
SCHEMBL20841532 0.77 GRM1 (0.46) PDK4GRM5GRM1NAMPTESR2
SCHEMBL212403 0.77 PDK4 (0.46) PDK4GRM5GRM1NAMPTESR2
SCHEMBL13542726 0.76 GRM1 (0.43) PDK4GRM5GRM1NAMPTESR2

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
EP-1898912-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 EP disclosed
WO-2007060409-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
WO-2006138155-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 WO disclosed