SCHEMBL5506611

SCHEMBL5506611

Cc1cnc(Cl)c2c1oc1c(OC(F)F)ccc(C(=O)O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.40
PDE4D Q08499 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 3/20 0.40
GAA P10253 1/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 3/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
TRPM4 Q8TD43 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
F11 P03951 1/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 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
SCHEMBL5505683 0.86 PDE4A (0.43) PDE4APDE4DPDE4BPDE4CMAPT
SCHEMBL5500958 0.80 LMNA (0.36) GAASMN1; SMN2LMNAKDM4E
SCHEMBL73967 0.78 PDE4B (0.42) PDE4APDE4DPDE4BPDE4CGAA
SCHEMBL4574940 0.77 NPC1 (0.36) PDE4APDE4DPDE4BPDE4CMAPT
SCHEMBL73654 0.77 PDE4D (0.41) PDE4APDE4DPDE4BPDE4CMAPT
SCHEMBL3877963 0.76 PDE4A (0.35) PDE4APDE4DPDE4BPDE4CMAPT
SCHEMBL73653 0.73 PDE4B (0.44) PDE4APDE4DPDE4BPDE4CGAA
SCHEMBL5501605 0.73 MAPT (0.40) PDE4APDE4DPDE4BPDE4CMAPT
SCHEMBL74217 0.71 PDE4B (0.63) PDE4APDE4DPDE4BPDE4CGAA
SCHEMBL4574337 0.71 PDE4D (0.38) PDE4APDE4DPDE4BPDE4CNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831227-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS Glenmark Pharmaceuticals S.A. (CH) 2007-09-12 EP claimed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 WO claimed
EP-1831227-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS Glenmark Pharmaceuticals S.A. (CH) 2007-09-12 EP disclosed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 WO disclosed