SCHEMBL6584640

SCHEMBL6584640

COc1ccc(C2(C)CCNC(=O)O2)cc1OCC(C)C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.61
PDE4D Q08499 8/20 0.61
PDE4A P27815 6/20 0.46
PDE4C Q08493 6/20 0.46
ALOX15 P16050 1/20 0.38
XDH P47989 1/20 0.35
IGF1R P08069 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FPR2 P25090 1/20 0.35
CBLB Q13191 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7764133 0.90 PDE4B (0.75) PDE4BPDE4DPDE4APDE4CALOX15
SCHEMBL7763217 0.90 PDE4B (0.75) PDE4BPDE4DPDE4APDE4CALOX15
SCHEMBL6584071 0.87 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL6582993 0.84 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL6584651 0.83 PDE4B (0.57) PDE4BPDE4DPDE4APDE4C
SCHEMBL7170196 0.83 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CALOX15
SCHEMBL7170264 0.83 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CALOX15
SCHEMBL7171526 0.83 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CALOX15
SCHEMBL6585357 0.81 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL6588290 0.79 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CMEN1

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