SCHEMBL7909156

SCHEMBL7909156

COc1ccc(C(=O)c2ccc(C)cc2)cc1OC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.61
PDE4D Q08499 10/20 0.61
PDE4A P27815 9/20 0.61
PDE4C Q08493 9/20 0.61
PDE5A O76074 2/20 0.61
PDE1A P54750 1/20 0.61
PDE1B Q01064 1/20 0.61
PDE1C Q14123 1/20 0.61
MAPK14 Q16539 1/20 0.60
EPHX2 P34913 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55

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 0.93 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL4162765 0.89 PDE5A (0.70) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7910791 0.89 ALDH1A1 (0.68) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL6881789 0.88 PDE4D (0.60) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7322708 0.87 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7907860 0.84 PDE5A (0.67) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7334102 0.83 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL30009845 0.83 PDE4B (0.80) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL1028427 0.83 PDE4B (0.80) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL4728938 0.83 PDE4B (0.80) PDE4BPDE4DPDE4APDE4CMAPK14

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 1 patent. 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