SCHEMBL16290197

SCHEMBL16290197

CCOc1cc2c(cc1OC)C(c1ccc(C(=O)C(O)c3ccccc3)cc1)=N[C@@H]1CC[S@+]([O-])C[C@H]21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.52
PDE4B Q07343 5/20 0.52
PDE4A P27815 3/20 0.52
PDE4C Q08493 3/20 0.52
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL15809933 1.00 PDE4D (0.52) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL15809932 0.97 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL16290196 0.97 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL2046669 0.89 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL13721383 0.89 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL2043102 0.89 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL13721007 0.86 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL13721005 0.86 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL2043775 0.86 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL15810008 0.85 PDE4D (0.53) PDE4DPDE4BPDE4APDE4CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2813509-A1 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives Takeda GmbH (DE) 2014-12-17 EP disclosed