SCHEMBL5748895

SCHEMBL5748895

CCOC(=O)ONC(=O)c1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.64
PDE4B Q07343 18/20 0.48
PDE4A P27815 11/20 0.46
PDE4C Q08493 10/20 0.46
ABCB11 O95342 1/20 0.44

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
SCHEMBL5746211 0.91 PDE4D (0.56) PDE4DPDE4BPDE4APDE4C
SCHEMBL5750307 0.88 PDE4D (0.65) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL5747561 0.85 PDE4D (0.65) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4028550 0.83 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4026556 0.82 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4030622 0.82 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL5748805 0.81 PDE4D (0.60) PDE4DPDE4BPDE4APDE4C
SCHEMBL4029693 0.81 PDE4D (0.79) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL5745696 0.80 PDE4D (0.59) PDE4DPDE4BPDE4APDE4C
SCHEMBL4035094 0.80 PDE4D (0.85) PDE4DPDE4BPDE4APDE4CABCB11

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
EP-1620429-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals S.A. (CH) 2006-02-01 EP claimed
WO-2004089940-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (US) 2004-10-21 WO claimed