SCHEMBL6587335

SCHEMBL6587335

CCCCC(=O)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.80
PDE4D Q08499 15/20 0.80
PDE4A P27815 11/20 0.80
PDE4C Q08493 11/20 0.80
MAPK14 Q16539 1/20 0.57

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
SCHEMBL7329999 0.92 PDE4D (0.80) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL6585967 0.87 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL5349155 0.86 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL29670763 0.84 CTNNB1 (0.67) PDE4BPDE4DPDE4APDE4C
SCHEMBL4861157 0.84 CTNNB1 (0.67) PDE4BPDE4DPDE4APDE4C
SCHEMBL131830 0.83 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL5565347 0.83 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL4709683 0.82 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7332246 0.82 PDE4B (0.75) PDE4BPDE4DPDE4APDE4C
SCHEMBL27472680 0.81 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CMAPK14

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
EP-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed