SCHEMBL6583511

SCHEMBL6583511

COc1ccc(C2CCN(C)C(=O)O2)cc1OCCOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.44
PDE4A P27815 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRNA7 P36544 2/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
APP P05067 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LTA4H P09960 1/20 0.38
HTR2C P28335 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
SCHEMBL6583751 0.89 SIGMAR1 (0.51) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL6586286 0.86 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DSIGMAR1
SCHEMBL6584261 0.83 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL6583531 0.82 PDE4A (0.49) PDE4BPDE4APDE4CPDE4DAPP
SCHEMBL7963965 0.81 PDE4A (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL7916316 0.81 PDE4A (0.44) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL6584431 0.80 HIF1A (0.47) SIGMAR1HIF1AEPAS1MAPK1HTR2C
SCHEMBL6583426 0.79 PDE4B (0.51) PDE4BPDE4D
SCHEMBL6588339 0.79 CHRM5 (0.42) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL6582719 0.79 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D

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