SCHEMBL6585547

SCHEMBL6585547

COc1ccc(C(O)CC#N)cc1O[C@H]1CC[C@H](c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.52
PDE4D Q08499 9/20 0.52
PDE4B Q07343 9/20 0.52
PDE4C Q08493 7/20 0.52

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
SCHEMBL6585543 1.00 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL7916029 0.86 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL7916025 0.86 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL6585871 0.85 PDE4A (0.61) PDE4APDE4DPDE4BPDE4C
SCHEMBL6587617 0.82 PDE4B (0.58) PDE4APDE4DPDE4BPDE4C
SCHEMBL6586342 0.82 PDE4A (0.51) PDE4APDE4DPDE4BPDE4C
SCHEMBL6583627 0.78 PDE4D (0.72) PDE4APDE4DPDE4BPDE4C
SCHEMBL6582898 0.77 PPARG (0.53) PDE4APDE4DPDE4BPDE4C
SCHEMBL4816554 0.77 PDE4A (0.71) PDE4APDE4DPDE4BPDE4C
SCHEMBL7962694 0.75 PDE4B (0.43) PDE4APDE4DPDE4BPDE4C

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