SCHEMBL7911028

SCHEMBL7911028

COC(=O)c1ccc(CCc2ccccc2-c2ccc(OC)c(OC3CCCC3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.53
PDE4A P27815 12/20 0.53
PDE4B Q07343 11/20 0.53
PDE4C Q08493 11/20 0.53
EPHX2 P34913 2/20 0.52
PDE5A O76074 1/20 0.51

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
SCHEMBL27657387 0.83 PDE4A (0.56) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL28062431 0.82 PDE4D (0.57) PDE4DPDE4APDE4BPDE4C
SCHEMBL8461881 0.81 PDE4A (0.79) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL6882017 0.79 PDE4A (0.56) PDE4DPDE4APDE4BPDE4C
SCHEMBL7782679 0.77 PDE4A (0.56) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL5309884 0.76 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL8206531 0.76 PDE4A (0.80) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL8483493 0.75 PDE4A (0.65) PDE4DPDE4APDE4BPDE4C
SCHEMBL8793521 0.74 PDE4A (0.60) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7911022 0.74 PDE4A (0.85) PDE4DPDE4APDE4BPDE4C

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