SCHEMBL6583752

SCHEMBL6583752

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.58
PDE4B Q07343 18/20 0.56
PDE4C Q08493 6/20 0.55
PDE4D Q08499 6/20 0.55
VEGFA P15692 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
CREBBP Q92793 1/20 0.51

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
SCHEMBL7963965 0.89 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6581746 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL6581743 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL6588337 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL6582738 0.85 PDE4B (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL6584814 0.84 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6588062 0.84 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6583040 0.83 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6584350 0.82 PDE4B (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL6582719 0.82 PDE4B (0.48) 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