SCHEMBL5507780

SCHEMBL5507780

Cc1cnc(O)c2c1oc1c(OC3CCCC3)ccc(C(=O)O)c12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.38
PDE4D Q08499 5/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
KMO O15229 4/20 0.34
SYK P43405 2/20 0.34
MAOB P27338 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL5501605 0.83 MAPT (0.40) PDE4APDE4DPDE4BPDE4C
SCHEMBL73469 0.79 PDE4A (0.41) PDE4APDE4DPDE4BPDE4CMAOB
SCHEMBL73109 0.78 MAOB (0.40) PDE4APDE4DPDE4BPDE4CKMO
SCHEMBL75163 0.76 PDE4A (0.38) PDE4APDE4DPDE4BPDE4CMAOB
SCHEMBL73106 0.75 PDE4A (0.37) PDE4APDE4DPDE4BPDE4CSYK
SCHEMBL72943 0.72 PDE4A (0.43) PDE4APDE4DPDE4BPDE4CMAOB
SCHEMBL73108 0.72 PDE5A (0.39) PDE4APDE4DPDE4BPDE4CKMO
SCHEMBL5022607 0.71 CYP19A1 (0.48) PDE4APDE4DPDE4BPDE4CMAOB
SCHEMBL5505683 0.71 PDE4A (0.43) PDE4APDE4DPDE4BPDE4C
SCHEMBL5506611 0.70 PDE4A (0.40) PDE4APDE4DPDE4BPDE4C

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