SCHEMBL6586764

SCHEMBL6586764

CCC(CC)COc1cc(C(O)CC#N)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.46
PDE4A P27815 8/20 0.46
PDE4C Q08493 8/20 0.46
PDE4D Q08499 8/20 0.46
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NFKB1 P19838 1/20 0.40
ATM Q13315 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 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
SCHEMBL6588285 0.88 HIF1A (0.45) PDE4BPDE4APDE4CPDE4DHIF1A
SCHEMBL6582898 0.86 PPARG (0.53) PDE4BPDE4APDE4CPDE4DHIF1A
SCHEMBL6586912 0.84 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6584615 0.81 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL6582595 0.79 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6585923 0.79 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6588197 0.79 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DHIF1A
SCHEMBL6582744 0.78 SIGMAR1 (0.50)
SCHEMBL2208138 0.77 AOC3 (0.39) HIF1AALDH1A1SMN1; SMN2CYP3A4TSHR
SCHEMBL6586702 0.77 FFAR1 (0.45) PDE4BPDE4APDE4CPDE4DPPARD

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