SCHEMBL7289581

SCHEMBL7289581

CCOc1cc2cc(COC(=O)C(C)(C)C)c(CO)c(-c3ccn(CCOC)c(=O)c3)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.60
PDE4B Q07343 19/20 0.60
PDE4C Q08493 19/20 0.60
PDE4D Q08499 19/20 0.60
PDE3B Q13370 19/20 0.60
PDE3A Q14432 19/20 0.60
PDE5A O76074 18/20 0.60
PDE1A P54750 12/20 0.43
PDE1B Q01064 12/20 0.43
PDE1C Q14123 12/20 0.43
TNF P01375 1/20 0.38

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
SCHEMBL7285109 0.89 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL155132 0.86 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29623702 0.86 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL15085278 0.79 PDE5A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2473235 0.78 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7287261 0.75 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL15085332 0.74 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7286974 0.74 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7276843 0.73 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7285598 0.72 PDE4A (0.76) 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 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