SCHEMBL7417119

SCHEMBL7417119

NC(=O)C(=O)NCc1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.61
PDE4D Q08499 14/20 0.61
PDE4A P27815 8/20 0.61
PDE4C Q08493 8/20 0.61
ABCB11 O95342 1/20 0.48
PDE1C Q14123 2/20 0.44
SRC P12931 1/20 0.43

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
SCHEMBL7420808 0.90 PDE4D (0.66) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7415300 0.88 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7348827 0.87 PDE4D (0.52) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7355475 0.81 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2954077 0.78 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2961023 0.78 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7350382 0.78 PDE4D (0.56) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL15270511 0.77 PDE4B (0.70) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5038816 0.76 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5038747 0.76 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993015044-A1 N-BENZYLOXAMIC ACID, OXAMATE, AND OXAMIDE DERIVATIVES AND THEIR USE AS TNF AND PDE IV INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-08-05 WO claimed
WO-1993015044-A1 N-BENZYLOXAMIC ACID, OXAMATE, AND OXAMIDE DERIVATIVES AND THEIR USE AS TNF AND PDE IV INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-08-05 WO disclosed