SCHEMBL6584797

SCHEMBL6584797

CCCCOc1cc(C2(C)CCN(C)C(=O)O2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.54
PDE4D Q08499 6/20 0.54
PDE4A P27815 5/20 0.40
PDE4C Q08493 4/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
HTR2C P28335 3/20 0.40
HTR2A P28223 2/20 0.40
MAPK1 P28482 2/20 0.39
TNF P01375 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL6584276 0.85 SIGMAR1 (0.50) PDE4BPDE4D
SCHEMBL6585814 0.85 PDE4B (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL6588290 0.85 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CHTR2C
SCHEMBL6584635 0.84 PDE4B (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL6582993 0.79 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CCTSD
SCHEMBL7175061 0.78 PDE4B (0.66) PDE4BPDE4DPDE4APDE4CCTSD
SCHEMBL7177909 0.78 PDE4B (0.66) PDE4BPDE4DPDE4APDE4CCTSD
SCHEMBL8488126 0.78 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CCTSD
SCHEMBL7174936 0.78 PDE4B (0.66) PDE4BPDE4DPDE4APDE4CCTSD
SCHEMBL6585386 0.78 PDE4A (0.56) PDE4BPDE4DPDE4APDE4C

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