SCHEMBL8998045

SCHEMBL8998045

C=C(C)C(OC(=O)Nc1cc(OC2CCCC2)c(Cl)cc1F)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.42
PDE4D Q08499 8/20 0.37
PDE4A P27815 6/20 0.37
PDE4B Q07343 6/20 0.37
PDE4C Q08493 6/20 0.37
PPOX P50336 1/20 0.37
RORC P51449 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9620075 0.92 SCN9A (0.41) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL9835450 0.85 NPSR1 (0.43) TSHR
SCHEMBL8998058 0.83 LMNA (0.34) RORCTSHR
SCHEMBL7931893 0.83 SCN9A (0.52) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL9427372 0.83 LMNA (0.34) TSHR
SCHEMBL9834362 0.83 LMNA (0.34) RORCTSHR
SCHEMBL9835444 0.83 RORC (0.39) PPOXRORCTSHR
SCHEMBL8083764 0.82 SCN9A (0.54) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL7922423 0.79 SCN9A (0.48) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8191955 0.79 SCN9A (0.46) SCN9APDE4DPDE4APDE4BPDE4C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496347-B1 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEM RES (JP) 1996-09-04 EP disclosed
US-5391807-A Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-02-21 US disclosed
US-5344953-A Fluorobenzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-09-06 US disclosed
US-5281742-A Bis(fluorophenyl) carbonate derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-25 US disclosed
EP-0496347-A2 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed