SCHEMBL6745558

SCHEMBL6745558

COc1ccc(C2CCC(C#N)(C(=O)O)CC2)cc1OC1CCCC1.[LiH]

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.62
PDE4A P27815 6/20 0.62
PDE4C Q08493 6/20 0.62
PDE4D Q08499 6/20 0.62

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
SCHEMBL29504585 0.99 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL1572501 0.99 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
Lithium Ion SCHEMBL6745554 0.88 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL6322653 0.83 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL7368562 0.80 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL7365058 0.78 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL27481581 0.77 PDE4B (0.70) PDE4BPDE4APDE4CPDE4D
SCHEMBL9167416 0.77 PDE4B (0.78) PDE4BPDE4APDE4CPDE4D
SCHEMBL5184039 0.77 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL15040911 0.77 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699903-B2 HYDRATION OF THE ANHYDROUS LITHIUM SALT WITH ACETONITRILE AND WATER; PHOSPHODIESTERASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2004-03-02 US disclosed