SCHEMBL6583623

SCHEMBL6583623

COc1ccc(C2(C)CCN(Cc3ccncc3)C(=O)O2)cc1OC1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.68
PDE4B Q07343 20/20 0.68
PDE4C Q08493 20/20 0.68
PDE4D Q08499 20/20 0.68

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
SCHEMBL8599254 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585386 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL8571839 0.78 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6582390 0.77 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL7178980 0.76 PDE4B (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL7170258 0.76 PDE4B (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL7170256 0.76 PDE4B (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL8572340 0.74 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL7174439 0.74 PDE4B (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL7175034 0.74 PDE4B (0.57) PDE4APDE4BPDE4CPDE4D

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