SCHEMBL7747490

SCHEMBL7747490

CCOc1cc2cc(COC(C)=O)c(COC(C)=O)c(-c3cc[n+]([O-])cc3)c2cc1OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.40
PDE4B Q07343 15/20 0.40
PDE4C Q08493 15/20 0.40
PDE4D Q08499 15/20 0.40
PDE3B Q13370 15/20 0.40
PDE3A Q14432 15/20 0.40
PDE5A O76074 14/20 0.38
PDE1A P54750 10/20 0.38
PDE1B Q01064 10/20 0.38
PDE1C Q14123 10/20 0.38
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PDE2A O00408 2/20 0.33
PDE7A Q13946 1/20 0.33
PDE7B Q9NP56 1/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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 0.89 PDE3B (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7747600 0.85 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7288680 0.78 PDE3B (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7746408 0.74 PDE1A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7286296 0.74 PDE3B (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7746140 0.72 PDE1A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7749398 0.71 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7276796 0.71 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7276791 0.71 PDE3B (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7278861 0.70 ALOX5 (0.43) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214996-B1 SHOWING EXCELLENT BRONCHIOCONSTRICTION INHIBITORY ACTIVITY,USEFUL IN THE PROPHYLAXIS OR TREATNEBT OF ASTHMA TANABE SEIYAKU CO., LTD. (JP) 2001-04-10 US disclosed
US-6005106-A BRONCHOCONSTRICTOR AGENTS USEFUL IN THE TREATMENT OF ASTHMA TANABE SEIYAKU CO., LTD. (JP) 1999-12-21 US disclosed
US-5969140-A AMINOPYRIDINE DERIVATIVES OF NAPHTHALENE FOR TREATMENT OF ASTHMA AND BRONCHOCONSTRICTOR INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1999-10-19 US disclosed
EP-0748805-B1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO (JP) 1998-04-08 EP disclosed
EP-0748805-A1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO., LTD. (JP) 1996-12-18 EP disclosed