SCHEMBL7332000

SCHEMBL7332000

COc1ccc(C=CC(=O)Cl)cc1OC1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.68
PDE4D Q08499 5/20 0.68
PDE4A P27815 4/20 0.68
PDE4C Q08493 4/20 0.68
NFE2L2 Q16236 1/20 0.56
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL7331992 1.00 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL30025682 0.90 KDM4E (0.69) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7357136 0.90 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7325725 0.90 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7929062 0.90 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7301103 0.90 KDM4E (0.69) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7929068 0.90 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7301099 0.90 KDM4E (0.69) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7326891 0.88 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7438760 0.88 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CNFE2L2

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