SCHEMBL6583489

SCHEMBL6583489

CCCCC(O)(CC#N)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.42
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 11/20 0.41
PDE4C Q08493 10/20 0.41
PDE4D Q08499 10/20 0.41
PDE5A O76074 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40

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
SCHEMBL6586360 0.89 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL6587626 0.82 PDE4B (0.48) PDE4BCASP1HSD17B10PDE4APDE4C
SCHEMBL6231255 0.80 CASP1 (0.55) PDE4BCASP1HSD17B10PDE4APDE4C
SCHEMBL6585192 0.78 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL14027108 0.78 CASP1 (0.48) PDE4BCASP1HSD17B10PDE4APDE4C
SCHEMBL6815488 0.77 CASP1 (0.54) PDE4BCASP1HSD17B10PDE4APDE4C
SCHEMBL6826307 0.74 CASP1 (0.54) PDE4BCASP1HSD17B10PDE4APDE4C
SCHEMBL6582369 0.74 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL6584335 0.74 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7355456 0.74 PDE4A (0.51) PDE4BPDE4APDE4CPDE4DPDE5A

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