SCHEMBL6586972

SCHEMBL6586972

COc1ccc(C(O)CC#N)cc1OC1(C)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HTT P42858 1/20 0.41
PDE4B Q07343 6/20 0.40
PDE4A P27815 5/20 0.40
PDE4C Q08493 5/20 0.40
PDE4D Q08499 5/20 0.40
ACHE P22303 2/20 0.40
TSHR P16473 2/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NFKB1 P19838 1/20 0.37
SLC22A3 O75751 1/20 0.37
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL6582898 0.83 PPARG (0.53) ALDH1A1HTTPDE4BPDE4APDE4C
SCHEMBL6588197 0.81 PDE4B (0.41) ALDH1A1HTTPDE4BPDE4APDE4C
SCHEMBL6585871 0.77 PDE4A (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL6582595 0.76 PDE4B (0.55) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL6585923 0.76 PDE4B (0.55) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL6584615 0.75 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL6588285 0.74 HIF1A (0.45) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL6585601 0.74 PDE4B (0.42) ALDH1A1HTTPDE4BPDE4APDE4C
SCHEMBL6586912 0.73 PDE4B (0.46) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL6586764 0.73 PDE4B (0.46) ALDH1A1PDE4BPDE4APDE4CPDE4D

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