SCHEMBL6583108

SCHEMBL6583108

CCC(CC)COc1cc(C2CCN(C)C(=O)O2)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
HIF1A Q16665 3/20 0.42
EPAS1 Q99814 3/20 0.42
HTR2C P28335 2/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL6582911 0.89 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DHIF1A
SCHEMBL7963965 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6584261 0.85 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL6583426 0.84 PDE4B (0.51) PDE4BPDE4D
SCHEMBL6582719 0.83 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6583040 0.82 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6583656 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DHIF1A
SCHEMBL6584659 0.80 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DHIF1A
SCHEMBL6583751 0.79 SIGMAR1 (0.51) PDE4APDE4BPDE4CPDE4DHIF1A
SCHEMBL6584431 0.78 HIF1A (0.47) HIF1AEPAS1HTR2C

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