SCHEMBL5704647

SCHEMBL5704647

COc1ccc(NC2=CC(=O)CCC2)cc1O[C@@H]1C[C@H]2CC[C@@H]1C2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.49
PDE4A P27815 12/20 0.49
PDE4C Q08493 12/20 0.49
PDE4D Q08499 12/20 0.49
TSHR P16473 1/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MT-CO2 P00403 1/20 0.41

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
SCHEMBL2976650 1.00 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL5704516 0.95 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL2978829 0.95 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL5704662 0.82 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL2980324 0.82 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL2982022 0.81 POLB (0.55) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL2980679 0.79 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL2972153 0.79 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL2972157 0.79 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL2971159 0.79 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DTSHR

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-0994100-B1 3-ANILINO-2-CYCLOALKENONE DERIVATES NIKKEN CHEMICALS CO LTD (JP) 2006-08-30 EP disclosed
US-6235736-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0994100-A1 3-ANILINO-2-CYCLOALKENONE DERIVATES Nikken Chemicals Company, Limited (JP) 2000-04-19 EP disclosed