SCHEMBL6586771

SCHEMBL6586771

COc1ccc(C(O)C(C)(C)C#N)cc1OC1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.50
PDE4A P27815 13/20 0.47
PDE4D Q08499 11/20 0.47
PDE4C Q08493 10/20 0.47

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
SCHEMBL6582821 0.85 PDE4A (0.50) PDE4BPDE4APDE4DPDE4C
SCHEMBL6587617 0.81 PDE4B (0.58) PDE4BPDE4APDE4DPDE4C
SCHEMBL7364925 0.80 PDE4B (0.57) PDE4BPDE4APDE4DPDE4C
SCHEMBL7919796 0.76 PDE4B (0.61) PDE4BPDE4APDE4DPDE4C
SCHEMBL7365345 0.76 PDE4B (0.49) PDE4BPDE4APDE4DPDE4C
SCHEMBL7149298 0.75 PDE4B (0.51) PDE4BPDE4APDE4DPDE4C
SCHEMBL6585141 0.73 PDE4B (0.47) PDE4BPDE4APDE4DPDE4C
SCHEMBL7144760 0.72 PDE4B (0.55) PDE4BPDE4APDE4DPDE4C
SCHEMBL7142709 0.71 PDE4B (0.43) PDE4BPDE4APDE4DPDE4C
SCHEMBL7147675 0.71 PDE4B (0.50) PDE4BPDE4APDE4DPDE4C

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