SCHEMBL7350205

SCHEMBL7350205

COC(=O)C(=O)NCCCc1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.55
PDE4D Q08499 12/20 0.55
PDE4A P27815 9/20 0.55
PDE4C Q08493 9/20 0.55
ABCB11 O95342 1/20 0.45
PDE1C Q14123 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
SCHEMBL7350382 0.90 PDE4D (0.56) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7348827 0.89 PDE4D (0.52) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7415300 0.88 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL29240090 0.78 PDE4D (0.53) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL29240088 0.77 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7420808 0.77 PDE4D (0.66) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5038816 0.77 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7355475 0.76 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7417119 0.76 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30063786 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-1993015045-A1 N-(3-PHENYLPROPYL)OXAMIC ACID, OXAMATE, AND OXAMIDE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1993-08-05 WO claimed
WO-1993015045-A1 N-(3-PHENYLPROPYL)OXAMIC ACID, OXAMATE, AND OXAMIDE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1993-08-05 WO disclosed