SCHEMBL7276791

SCHEMBL7276791

COc1ccc(-c2c(COC(C)=O)c(COC(C)=O)cc3cc(OC)c(OC)cc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.51
PDE3A Q14432 12/20 0.51
PDE4A P27815 11/20 0.51
PDE4B Q07343 11/20 0.51
PDE4C Q08493 11/20 0.51
PDE4D Q08499 11/20 0.51
PDE5A O76074 9/20 0.45
PDE1A P54750 7/20 0.45
PDE1B Q01064 7/20 0.45
PDE1C Q14123 7/20 0.45
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B1 P14061 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B2 P37059 1/20 0.39
ERN1 O75460 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL7276796 0.85 PDE4A (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7286296 0.83 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7286990 0.80 PDE4A (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7286791 0.79 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3880895 0.79 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7278945 0.78 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7285560 0.78 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7279466 0.77 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7288680 0.76 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7279090 0.75 HSD17B10 (0.41) 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