SCHEMBL3661646

SCHEMBL3661646

COc1ccc(C(=COC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c2c(Cl)cncc2Cl)c2c1oc1ccc([N+](=O)[O-])cc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.36
PDE4A P27815 9/20 0.36
PDE4B Q07343 9/20 0.36
PDE4C Q08493 9/20 0.36
PTGS2 P35354 2/20 0.34
EGFR P00533 2/20 0.34
IGF1R P08069 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.32
PDE5A O76074 1/20 0.32

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
SCHEMBL1750791 0.86 PDE4D (0.36) PDE4DPDE4APDE4BPDE4CPTGS2
SCHEMBL1750790 0.86 PDE4D (0.36) PDE4DPDE4APDE4BPDE4CPTGS2
SCHEMBL1750793 0.86 PDE4D (0.36) PDE4DPDE4APDE4BPDE4CPTGS2
SCHEMBL3655199 0.85 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CPTGS2
SCHEMBL3662561 0.82 PTGS2 (0.37) PDE4DPDE4APDE4BPDE4CPTGS2
SCHEMBL1751689 0.82 PTGS2 (0.38) PDE4DPDE4APDE4BPDE4CPTGS2
SCHEMBL1750624 0.75 PDE4D (0.50) PDE4DPDE4APDE4BPDE4C
SCHEMBL4033314 0.73 PDE4D (0.59) PDE4DPDE4APDE4BPDE4CPTGS2
SCHEMBL1751225 0.73 PTGS2 (0.41) PDE4DPDE4APDE4BPDE4CPTGS2
SCHEMBL1751223 0.73 PTGS2 (0.41) PDE4DPDE4APDE4BPDE4CPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225205-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2010-09-08 EP claimed
WO-2009077068-A9 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2009-08-20 WO claimed
WO-2009077068-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2009-06-25 WO claimed