SCHEMBL1083247

SCHEMBL1083247

OB(O)c1ccc2c(c1)OCCOC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 5/20 0.33
ENPP2 Q13822 2/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL19031988 0.83 ENPP2 (0.38) ENPP2KDM4ECA1CA2
SCHEMBL1895322 0.80 PRKCI (0.40) ENPP2CA1CA2
SCHEMBL121851 0.77 TSHR (0.46) LMNASMN1; SMN2HTTMAPTBLM
SCHEMBL29953828 0.75 ENPP2 (0.35) ENPP2KDM4ECA1CA2
SCHEMBL29951836 0.74 ENPP2 (0.39) ENPP2KDM4ECA1CA2
SCHEMBL1083349 0.73 ENPP2 (0.36) ENPP2KDM4ECA1CA2
SCHEMBL8251512 0.73 MAPT (0.41) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL8282741 0.73 MAPT (0.61) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL8475 0.71 NPC1 (0.45) LMNASMN1; SMN2HTTMAPTENPP2
SCHEMBL29789730 0.71 NPC1 (0.45) LMNASMN1; SMN2HTTMAPTENPP2

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-2271646-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 WO disclosed