SCHEMBL6583354

SCHEMBL6583354

COc1ccc(C2CCNC(=O)O2)cc1OCCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
PDE4A P27815 8/20 0.43
PDE4D Q08499 4/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
MAPK1 P28482 3/20 0.41
HTR2C P28335 1/20 0.40
BCHE P06276 1/20 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
KMT2A Q03164 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
SCHEMBL6584193 0.91 PDE4A (0.47) HIF1AEPAS1PDE4APDE4DPDE4B
SCHEMBL6587870 0.85 PDE4A (0.58) PDE4APDE4DPDE4BPDE4CMAPK1
SCHEMBL6582690 0.85 PTAFR (0.48) PDE4APDE4DPDE4BPDE4CPTAFR
SCHEMBL6584131 0.82 PDE4A (0.49) PDE4APDE4DPDE4BPDE4CKDM4E
SCHEMBL6585391 0.82 ACHE (0.42) HIF1AEPAS1PDE4APDE4DPDE4B
SCHEMBL6584431 0.81 HIF1A (0.47) HIF1AEPAS1MAPK1HTR2CALDH1A1
SCHEMBL6585251 0.81 PDE4B (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL6583051 0.80 PDE4A (0.43) PDE4APDE4DPDE4BPDE4CMAPK1
SCHEMBL6583531 0.80 PDE4A (0.49) PDE4APDE4DPDE4BPDE4CLMNA
SCHEMBL6584230 0.80 PDE4A (0.40) HIF1AEPAS1PDE4APDE4DPDE4B

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