SCHEMBL3655199

SCHEMBL3655199

COc1ccc(C(=O)OC=C(c2c(Cl)cncc2Cl)c2ccc(OC)c3oc4ccc([N+](=O)[O-])cc4c23)c2c1oc1ccc([N+](=O)[O-])cc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.39
PDE4B Q07343 12/20 0.39
PDE4A P27815 11/20 0.39
PDE4C Q08493 11/20 0.39
PTGS2 P35354 2/20 0.38
PPARG P37231 1/20 0.37
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
PYGL P06737 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL3661646 0.85 PDE4D (0.36) PDE4DPDE4BPDE4APDE4CPTGS2
SCHEMBL1751223 0.82 PTGS2 (0.41) PDE4DPDE4BPDE4APDE4CPTGS2
SCHEMBL1751225 0.82 PTGS2 (0.41) PDE4DPDE4BPDE4APDE4CPTGS2
SCHEMBL4033314 0.80 PDE4D (0.59) PDE4DPDE4BPDE4APDE4CPTGS2
SCHEMBL1750624 0.80 PDE4D (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL1752200 0.79 PTGS2 (0.41) PDE4DPDE4BPDE4APDE4CPTGS2
SCHEMBL1752198 0.79 PTGS2 (0.41) PDE4DPDE4BPDE4APDE4CPTGS2
SCHEMBL1750895 0.77 HTT (0.43) PTGS2MAPK1HTTTDP1L3MBTL1
SCHEMBL1751525 0.76 ALDH1A1 (0.48) PTGS2MAPK1HTTTDP1L3MBTL1
SCHEMBL6526531 0.76 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CPTGS2

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