SCHEMBL7355475

SCHEMBL7355475

NC(=O)CCc1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.56
PDE4D Q08499 15/20 0.56
PDE4A P27815 12/20 0.56
PDE4C Q08493 12/20 0.56
ABCB11 O95342 1/20 0.48

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
SCHEMBL5038816 0.84 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1765751 0.83 PDE4A (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL29240081 0.82 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30063786 0.82 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30062395 0.82 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7348827 0.82 PDE4D (0.52) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2954077 0.81 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2961023 0.81 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL32670594 0.81 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7417119 0.81 PDE4B (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993015045-A1 N-(3-PHENYLPROPYL)OXAMIC ACID, OXAMATE, AND OXAMIDE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1993-08-05 WO disclosed