SCHEMBL7319912

SCHEMBL7319912

COc1ccc(C(=O)c2ccco2)cc1OC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.57
PDE4B Q07343 12/20 0.57
PDE4A P27815 10/20 0.57
PDE4C Q08493 10/20 0.57
MAPK14 Q16539 1/20 0.55
PDE5A O76074 2/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PDE1C Q14123 1/20 0.53

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
SCHEMBL5076584 0.85 SMN1; SMN2 (0.65)
SCHEMBL27472680 0.85 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL4162765 0.81 PDE5A (0.70) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7907860 0.79 PDE5A (0.67) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7910791 0.79 ALDH1A1 (0.68) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7909156 0.79 PDE4B (0.61) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7334102 0.78 PDE4B (0.60) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL30009845 0.78 PDE4B (0.80) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL4728938 0.78 PDE4B (0.80) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL1028427 0.78 PDE4B (0.80) PDE4DPDE4BPDE4APDE4CMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626939-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2001-11-07 EP 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
EP-0626957-A1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-12-07 EP disclosed
EP-0626939-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-12-07 EP disclosed
WO-1994014800-A1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-07-07 WO disclosed
WO-1994014742-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH LIMITED (GB) 1994-07-07 WO disclosed