SCHEMBL5038747

SCHEMBL5038747

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.55
PDE4D Q08499 15/20 0.55
PDE4A P27815 10/20 0.55
PDE4C Q08493 10/20 0.55
ABCB11 O95342 1/20 0.47

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
SCHEMBL2954077 0.83 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL18971899 0.83 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL28163432 0.83 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7475124 0.83 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2961023 0.83 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL29044734 0.83 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5038732 0.83 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5184347 0.82 PDE4A (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL29723415 0.82 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL832611 0.82 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-2008117943-A1 7-(3',4'-DIALKOXYPHENYL)-[1,2,4]-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS, PROCESS FOR PREPARING THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ARTHRITIS, ATOPIC DERMATITIS, TUMOR AND DEGENERATIVE BRAIN DISEASES COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-10-02 WO disclosed