SCHEMBL7380651

SCHEMBL7380651

COC(=O)N1CC(c2ccc(OC)c(OCc3ccccc3)c2)C(C)(C(=O)OC)C1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.66
PDE4A P27815 6/20 0.66
PDE4C Q08493 6/20 0.66
PDE4D Q08499 6/20 0.66
PDE7A Q13946 1/20 0.56
APP P05067 4/20 0.46
CSF1R P07333 1/20 0.46
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL5368892 0.93 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL7384901 0.93 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL7355122 0.87 PDE4A (0.49) PDE4BPDE4APDE4CPDE4DAPP
SCHEMBL7355115 0.87 PDE4A (0.49) PDE4BPDE4APDE4CPDE4DAPP
SCHEMBL5364360 0.83 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5364357 0.83 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL5364352 0.83 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL7350553 0.81 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL1387881 0.80 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DPDE7A
SCHEMBL20429666 0.78 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458787-B1 NOVEL PYRROLIDINE COMPOUNDS THAT ARE POTENT AND SELECTIVE INHIBITORS OF PDE4, AS WELL AS METHODS OF MAKING THE SAME, ARE DISCLOSED. USE OF THE COMPOUNDS IN THE TREATMENT OF INFLAMMATORY DISEASES AND OTHER DISEASES INVOLVING ELEVATED ICOS CORPORATION 2002-10-01 US disclosed
US-6258833-B1 ENZYME INHIBITORS AND ANTIINFLAMMATORY AGENTS ICOS CORPORATION 2001-07-10 US disclosed