SCHEMBL6886593

SCHEMBL6886593

COc1ccc(C(O)(Cc2ccncc2)c2ccc(Br)cc2)cc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.51
PDE4D Q08499 5/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
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
SCHEMBL7314363 0.94 PDE4A (0.54) PDE4APDE4DPDE4BPDE4C
SCHEMBL6508090 0.91 PDE4A (0.58) PDE4APDE4DPDE4BPDE4C
SCHEMBL7900925 0.91 PDE4A (0.59) PDE4APDE4DPDE4BPDE4C
SCHEMBL7911130 0.86 PDE4A (0.59) PDE4APDE4DPDE4BPDE4C
SCHEMBL7907983 0.86 PDE4A (0.50) PDE4APDE4DPDE4BPDE4C
SCHEMBL7914725 0.85 PDE4A (0.54) PDE4APDE4DPDE4BPDE4C
SCHEMBL8770460 0.84 PDE4A (0.55) PDE4APDE4DPDE4BPDE4C
SCHEMBL7322059 0.83 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL8688876 0.83 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL7314136 0.82 PDE4A (0.48) PDE4APDE4DPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1304372-C Tri-substituted phenyl derivates useful as PDE IV inhibitors CELLTECH THERAPEUTICS LTD (GB) 2007-03-14 CN disclosed
EP-0770065-B1 TRI-SUBSTITUTED PHENYL DERIVATES USEFUL AS PDE IV INHIBITORS CELLTECH R&D LTD (GB) 2004-03-31 EP disclosed
EP-0626939-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2001-11-07 EP disclosed
US-6077854-A Tri-substituted phenyl derivatives and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 2000-06-20 US disclosed
EP-0626957-B1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 1999-03-03 EP disclosed
CN-1151732-A Tri-substituted phenyl derivates useful as PDE IV inhibitors CELLTECH THERAPEUTICS LTD (GB) 1997-06-11 CN disclosed
US-5622977-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS CELLTECH THERAPEUTICS LIMITED (GB) 1997-04-22 US disclosed
US-5580888-A Styryl derivatives as anti-inflammatory agents CELLTECH THERAPEUTICS LIMITED (GB) 1996-12-03 US disclosed