SCHEMBL4017157

SCHEMBL4017157

B(Oc1ccc(OC2CCOCC2)nc1)Oc1ccc(OC2CCOCC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.37
PIK3R1 P27986 1/20 0.37
ACACB O00763 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SYK P43405 2/20 0.34
LRRK2 Q5S007 2/20 0.34
SCN9A Q15858 3/20 0.34
NAMPT P43490 1/20 0.33
SCN5A Q14524 1/20 0.33
TDO2 P48775 1/20 0.33
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
DHFR P00374 1/20 0.32

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
SCHEMBL624331 0.84 LOX (0.40) ACACBNAMPTTDO2HRH3
SCHEMBL26088700 0.76 PIK3CA (0.39) PIK3CAPIK3R1HDAC6SYKLRRK2
SCHEMBL29944695 0.76 DGAT1 (0.44) PIK3CAPIK3R1HDAC6SYKLRRK2
SCHEMBL17559331 0.76 FPR2 (0.44) PIK3CAPIK3R1HDAC6LRRK2SCN9A
SCHEMBL1738661 0.76 DGAT1 (0.44) PIK3CAPIK3R1HDAC6SYKLRRK2
SCHEMBL18307136 0.76 FAAH (0.41) PIK3CAPIK3R1HDAC6SYKLRRK2
SCHEMBL3396466 0.76 PIK3CA (0.41) PIK3CAPIK3R1HDAC6SYKLRRK2
SCHEMBL12310665 0.76 SYK (0.46) PIK3CAPIK3R1HDAC6SYKLRRK2
SCHEMBL13662044 0.73 SCN9A (0.44) PIK3CAPIK3R1ACACBHDAC6SYK
SCHEMBL21108828 0.73 PIK3CA (0.40) PIK3CAPIK3R1HDAC6SYKLRRK2

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
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed