SCHEMBL6582595

SCHEMBL6582595

COc1ccc(C(O)CC#N)cc1OCC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.55
PDE4A P27815 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6585923 0.98 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6584615 0.95 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL6581651 0.86 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL7916072 0.85 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL6585871 0.84 PDE4A (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL6582898 0.83 PPARG (0.53) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7916056 0.82 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL30352570 0.80 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL6588285 0.80 HIF1A (0.45) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7913450 0.80 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D

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