SCHEMBL7334102

SCHEMBL7334102

COc1cccc(C(=O)c2ccc(OC)c(OC3CCCC3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.60
PDE4D Q08499 11/20 0.60
PDE4A P27815 9/20 0.60
PDE4C Q08493 9/20 0.60
PDE5A O76074 2/20 0.57
PDE1A P54750 1/20 0.57
PDE1B Q01064 1/20 0.57
PDE1C Q14123 1/20 0.57
MAPK14 Q16539 1/20 0.57

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
SCHEMBL27472680 0.89 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7910791 0.88 ALDH1A1 (0.68) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL4162765 0.88 PDE5A (0.70) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL4824157 0.84 CYP1A2 (0.73) PDE4BPDE4DPDE4APDE4C
SCHEMBL7909156 0.83 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL6881789 0.82 PDE4D (0.60) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL6586713 0.82 PDE4D (0.59) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7322708 0.81 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7907860 0.81 PDE5A (0.67) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7451207 0.80 PDE4A (0.79) PDE4BPDE4DPDE4APDE4CPDE5A

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
EP-0626939-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2001-11-07 EP disclosed
EP-0626939-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-12-07 EP disclosed
WO-1994014742-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH LIMITED (GB) 1994-07-07 WO disclosed