SCHEMBL6582898

SCHEMBL6582898

COc1ccc(C(O)CC#N)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
NFKB1 P19838 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 4/20 0.47
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 3/20 0.44

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
SCHEMBL6588285 0.87 HIF1A (0.45) PPARGPPARDPPARAPDE4APDE4B
SCHEMBL6586764 0.86 PDE4B (0.46) PPARGPPARDPPARAPDE4APDE4B
SCHEMBL6586912 0.86 PDE4B (0.46) PPARGPPARDPPARAPDE4APDE4B
SCHEMBL236248 0.86 OPRK1 (0.43) PPARGPPARDPPARAPDE4APDE4B
SCHEMBL6584615 0.85 PDE4B (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585871 0.84 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL4825001 0.83 PDE4A (0.55) PPARGPPARDPPARAPDE4APDE4B
SCHEMBL6586972 0.83 ALDH1A1 (0.41) PPARGPPARDPPARAPDE4APDE4B
SCHEMBL6588197 0.83 PDE4B (0.41) PPARGPPARDPPARAPDE4APDE4B
SCHEMBL6585923 0.83 PDE4B (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1

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