SCHEMBL7321981

SCHEMBL7321981

COc1ccc(-c2ncccc2CCO)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.52
PDE4D Q08499 12/20 0.49
PDE4B Q07343 6/20 0.49
PDE4C Q08493 6/20 0.49
EPHX2 P34913 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45

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
SCHEMBL7390717 0.87 PDE4A (0.53) PDE4APDE4DPDE4BPDE4C
SCHEMBL7387697 0.86 PDE4A (0.49) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL7389939 0.85 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL7389555 0.85 PDE4A (0.48) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL7317457 0.84 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL7389100 0.84 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL7389162 0.84 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL8691674 0.82 PDE4D (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL8691675 0.82 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL7334529 0.80 PDE4B (0.47) PDE4APDE4DPDE4BPDE4CEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962483-A ANTIASTHMA AGENTS; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS, LIMITED (GB) 1999-10-05 US disclosed
US-5962492-A ANTIASTHMA AGENTS; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-05 US disclosed
US-5780478-A Tetra-substituted phenyl derivatives CELLTECH THERAPEUTICS, LIMITED (GB) 1998-07-14 US disclosed
US-5780477-A Trisubstituted phenyl derivatives and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 1998-07-14 US disclosed
US-5739144-A INHIBITORS OF PHOSPHODIESTERASE ENZYMES CELLTECH THERAPEUTICS LIMITED (GB) 1998-04-14 US disclosed
US-5723460-A Cyclo (alkyl and alkenyl) phenyl-alkenylyl heteroaryl compounds and pharmaceutical compositions containing same CELLTECH THERAPEUTICS LIMITED (GB) 1998-03-03 US disclosed