SCHEMBL6585601

SCHEMBL6585601

COc1ccc(C(O)CC#N)cc1OCC1(c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.42
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
ALDH1A1 P00352 3/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PBRM1 Q86U86 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6588197 0.83 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6582898 0.78 PPARG (0.53) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6582744 0.77 SIGMAR1 (0.50)
SCHEMBL6584615 0.76 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL6588285 0.75 HIF1A (0.45) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6584079 0.75 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL6586764 0.74 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6586912 0.74 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL5704495 0.74 GAA (0.44) CHRM5CHRM1CHRM3ALDH1A1HTT
SCHEMBL6585923 0.74 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DALDH1A1

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