SCHEMBL6584350

SCHEMBL6584350

COc1ccc(C2CCN(CCN3CCOCC3)C(=O)O2)cc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.51
PDE4A P27815 5/20 0.48
PDE4D Q08499 6/20 0.47
PDE4C Q08493 3/20 0.47

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
SCHEMBL6584814 0.94 PDE4B (0.50) PDE4BPDE4APDE4DPDE4C
SCHEMBL6588062 0.86 PDE4B (0.50) PDE4BPDE4APDE4DPDE4C
SCHEMBL6582738 0.86 PDE4B (0.53) PDE4BPDE4APDE4DPDE4C
SCHEMBL6583752 0.82 PDE4A (0.58) PDE4BPDE4APDE4DPDE4C
SCHEMBL7363879 0.81 PDE4A (0.66) PDE4BPDE4APDE4DPDE4C
SCHEMBL6587884 0.80 PDE4B (0.65) PDE4BPDE4APDE4DPDE4C
SCHEMBL6582390 0.80 PDE4A (0.56) PDE4BPDE4APDE4DPDE4C
Hydrochloric Acid SCHEMBL7369521 0.80 PDE4A (0.65) PDE4BPDE4APDE4DPDE4C
SCHEMBL6583335 0.79 PDE4B (0.50) PDE4BPDE4APDE4DPDE4C
SCHEMBL6585269 0.79 PDE4B (0.47) PDE4BPDE4APDE4DPDE4C

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