SCHEMBL6584894

SCHEMBL6584894

COc1ccc(C2CCN(Cc3cnccn3)C(=O)O2)cc1OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.45
PDE4A P27815 13/20 0.43
PDE4C Q08493 9/20 0.43
PDE4D Q08499 9/20 0.43
SLC5A7 Q9GZV3 1/20 0.43
CYP3A4 P08684 2/20 0.43
VEGFA P15692 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CREBBP Q92793 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE5A O76074 1/20 0.43
TNF P01375 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
PDE1A P54750 1/20 0.43

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
SCHEMBL6583093 0.86 PDE4A (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL6582390 0.85 PDE4A (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL6582738 0.82 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL6586257 0.81 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL6587884 0.80 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL6583335 0.79 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL6585269 0.79 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL6588062 0.79 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL6584814 0.79 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL6588131 0.78 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DKMT2A

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