SCHEMBL6586286

SCHEMBL6586286

COc1ccc(C2CCN(C)C(=O)O2)cc1OCCCCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.45
PDE4A P27815 4/20 0.45
PDE4C Q08493 4/20 0.45
PDE4D Q08499 4/20 0.45
PTAFR P25105 2/20 0.44
SIGMAR1 Q99720 4/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.42
EBP Q15125 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41

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 0.93 SIGMAR1 (0.51) PDE4BPDE4APDE4CPDE4DSIGMAR1
SCHEMBL6583511 0.86 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DSIGMAR1
SCHEMBL6584261 0.85 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPTAFR
SCHEMBL6584431 0.84 HIF1A (0.47) SIGMAR1HIF1AEPAS1
SCHEMBL6582690 0.82 PTAFR (0.48) PDE4BPDE4APDE4CPDE4DPTAFR
SCHEMBL7913482 0.82 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPTAFR
SCHEMBL7963965 0.81 PDE4A (0.50) PDE4BPDE4APDE4CPDE4DPTAFR
SCHEMBL6585371 0.80 FAAH (0.41) MEN1KMT2AHIF1AEPAS1
SCHEMBL6583426 0.79 PDE4B (0.51) PDE4BPDE4D
SCHEMBL6588339 0.79 CHRM5 (0.42) PDE4BPDE4APDE4CPDE4DMEN1

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