SCHEMBL6587870

SCHEMBL6587870

CCCCOc1cc(C2CCNC(=O)O2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.58
PDE4D Q08499 12/20 0.58
PDE4B Q07343 12/20 0.58
PDE4C Q08493 10/20 0.58
MAPK1 P28482 2/20 0.48
TNF P01375 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL11427405 0.88 PDE4A (0.64) PDE4APDE4DPDE4BPDE4CMAPK1
SCHEMBL6584131 0.88 PDE4A (0.49) PDE4APDE4DPDE4BPDE4CKDM4E
SCHEMBL6585251 0.86 PDE4B (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL6584193 0.86 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL6583051 0.86 PDE4A (0.43) PDE4APDE4DPDE4BPDE4CMAPK1
SCHEMBL6584659 0.85 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL6584175 0.85 PDE4A (0.57) PDE4APDE4DPDE4BPDE4CMAPT
SCHEMBL6583354 0.85 HIF1A (0.45) PDE4APDE4DPDE4BPDE4CMAPK1
SCHEMBL6583947 0.84 PDE4B (0.45) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL6583912 0.84 PDE4B (0.45) PDE4APDE4DPDE4BPDE4CMAPK1

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