SCHEMBL6588031

SCHEMBL6588031

COC(=O)NCC(c1ccccc1)C(O)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.58
PDE4D Q08499 8/20 0.52
PDE4B Q07343 7/20 0.52
PDE4C Q08493 7/20 0.52
EPHX2 P34913 1/20 0.49

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
SCHEMBL6582977 0.83 PDE4A (0.61) PDE4APDE4DPDE4BPDE4C
SCHEMBL4822203 0.77 PDE4A (0.68) PDE4APDE4DPDE4BPDE4C
SCHEMBL5567417 0.77 PDE4A (0.67) PDE4APDE4DPDE4BPDE4C
SCHEMBL6885590 0.76 PDE4A (0.71) PDE4APDE4DPDE4BPDE4C
SCHEMBL7911022 0.76 PDE4A (0.85) PDE4APDE4DPDE4BPDE4C
SCHEMBL7372000 0.76 PDE4B (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL7311861 0.76 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CEPHX2
SCHEMBL6583750 0.75 PDE4A (0.58) PDE4APDE4DPDE4BPDE4C
SCHEMBL6888806 0.75 PDE4A (0.68) PDE4APDE4DPDE4BPDE4C
SCHEMBL4822025 0.74 PDE4A (0.79) 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 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