SCHEMBL6582993

SCHEMBL6582993

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.71
PDE4D Q08499 6/20 0.71
PDE4A P27815 7/20 0.46
PDE4C Q08493 4/20 0.46
MAPK1 P28482 2/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
TNF P01375 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
SMPD1 P17405 3/20 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
SCHEMBL8489189 0.89 PDE4B (0.89) PDE4BPDE4DPDE4APDE4CMAPK1
SCHEMBL6584071 0.87 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL6585357 0.85 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL6585598 0.85 PDE4B (0.57) PDE4BPDE4DPDE4APDE4C
SCHEMBL6584640 0.84 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL6584651 0.83 PDE4B (0.57) PDE4BPDE4DPDE4APDE4C
Daxalipram SCHEMBL7760245 0.83 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CMAPK1
Daxalipram SCHEMBL450824 0.83 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CMAPK1
Daxalipram SCHEMBL450823 0.83 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CMAPK1
SCHEMBL6584797 0.79 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CMAPK1

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