SCHEMBL7320539

SCHEMBL7320539

COc1ccc(CCc2ncc(Cl)cc2Cl)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.47
PDE4A P27815 13/20 0.47
PDE4D Q08499 10/20 0.45
PDE4C Q08493 8/20 0.45
CSNK2A1 P68400 2/20 0.44

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
SCHEMBL1389102 0.81 PDE4A (0.56) PDE4BPDE4APDE4DPDE4CCSNK2A1
SCHEMBL7321228 0.79 PDE4B (0.49) PDE4BPDE4APDE4DPDE4C
SCHEMBL6889304 0.77 PDE4A (0.63) PDE4BPDE4APDE4DPDE4C
SCHEMBL7316969 0.76 PDE4A (0.49) PDE4BPDE4APDE4DPDE4C
Hydrochloric Acid SCHEMBL6887553 0.76 PDE4A (0.62) PDE4BPDE4APDE4DPDE4C
SCHEMBL5610571 0.75 RECQL (0.61) PDE4BPDE4APDE4DPDE4C
SCHEMBL7353001 0.75 KDM4E (0.66) PDE4BPDE4APDE4DPDE4CCSNK2A1
SCHEMBL5309679 0.75 PDE4B (0.56) PDE4BPDE4APDE4DPDE4CCSNK2A1
SCHEMBL7314903 0.74 ALOX15 (0.54) PDE4BPDE4APDE4DPDE4C
SCHEMBL8436326 0.74 PDE4A (0.60) PDE4BPDE4APDE4DPDE4C

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
US-5739144-A INHIBITORS OF PHOSPHODIESTERASE ENZYMES CELLTECH THERAPEUTICS LIMITED (GB) 1998-04-14 US claimed
US-5962483-A ANTIASTHMA AGENTS; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS, LIMITED (GB) 1999-10-05 US disclosed
US-5739144-A INHIBITORS OF PHOSPHODIESTERASE ENZYMES CELLTECH THERAPEUTICS LIMITED (GB) 1998-04-14 US disclosed