SCHEMBL6587626

SCHEMBL6587626

COc1ccc(C(C)(O)CC#N)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.48
PDE4A P27815 11/20 0.45
PDE4C Q08493 10/20 0.45
PDE4D Q08499 10/20 0.45
POLB P06746 1/20 0.44
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL6586360 0.86 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL6585141 0.85 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DCASP1
SCHEMBL7914451 0.85 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7995009 0.85 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7765508 0.85 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL6584387 0.84 CASP1 (0.57) PDE4BPDE4APDE4CPDE4DCASP1
SCHEMBL6585192 0.84 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL6583489 0.82 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7355456 0.82 PDE4A (0.51) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL6584961 0.81 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DCASP1

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