SCHEMBL6584682

SCHEMBL6584682

COc1ccc(C2CCNC(=O)O2)cc1OC1c2ccccc2CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.43
PDE4B Q07343 10/20 0.43
PDE4C Q08493 10/20 0.43
PDE4D Q08499 10/20 0.43
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
VEGFA P15692 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CREBBP Q92793 1/20 0.37
PDE5A O76074 1/20 0.37
TNF P01375 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 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
SCHEMBL6585044 0.84 PDE4B (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6584131 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6584136 0.81 PDE4B (0.40) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6584973 0.79 PDE4B (0.65) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6585932 0.78 PDE4B (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6585936 0.78 PDE4B (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6584854 0.76 PDE4D (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6586805 0.74 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6584193 0.74 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585251 0.74 PDE4B (0.49) 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