SCHEMBL7288680

SCHEMBL7288680

COc1cc2cc(COC(C)=O)c(COC(C)=O)c(-c3ccc[n+]([O-])c3)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.49
PDE3A Q14432 14/20 0.49
PDE4A P27815 13/20 0.49
PDE4B Q07343 13/20 0.49
PDE4C Q08493 13/20 0.49
PDE4D Q08499 13/20 0.49
PDE5A O76074 11/20 0.41
PDE1A P54750 10/20 0.41
PDE1B Q01064 10/20 0.41
PDE1C Q14123 10/20 0.41
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL3880895 0.88 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7278861 0.84 ALOX5 (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7286296 0.79 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7279466 0.78 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7286791 0.78 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7747490 0.78 PDE4A (0.40) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7278945 0.77 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7285560 0.77 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7276796 0.76 PDE4A (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7276791 0.76 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C

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-0557016-B1 Naphthalene derivatives, processes for preparing the same, and synthetic intermediates therefor TANABE SEIYAKU CO (JP) 1996-06-19 EP disclosed
US-5342941-A Bronchodilating agents TANABE SEIYAKU CO., LTD. (JP) 1994-08-30 US disclosed
EP-0557016-A1 Naphthalene derivatives, processes for preparing the same, and synthetic intermediates therefor TANABE SEIYAKU CO., LTD. (JP) 1993-08-25 EP disclosed