SCHEMBL6586329

SCHEMBL6586329

COc1ccc(C(O)(CC#N)c2nccs2)cc1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.40
PDE4B Q07343 13/20 0.40
PDE4C Q08493 10/20 0.40
PDE4D Q08499 10/20 0.40
FPR2 P25090 1/20 0.37
PDE5A O76074 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37

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
SCHEMBL6585856 0.88 CASP1 (0.45)
SCHEMBL6582369 0.82 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6584335 0.82 PDE4B (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6585192 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6583778 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6587626 0.78 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6586360 0.76 PDE4B (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6583489 0.73 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7322059 0.71 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL9269715 0.71 PDE4B (0.49) PDE4APDE4BPDE4CPDE4DPDE5A

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