SCHEMBL7447175

SCHEMBL7447175

COc1ccc(/C=C/C(=O)c2ccccc2)cc1OC1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.74
PDE4A P27815 4/20 0.74
PDE4C Q08493 4/20 0.74
PDE4D Q08499 4/20 0.74
ABCG2 Q9UNQ0 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
NPC1 O15118 1/20 0.61
MAPT P10636 1/20 0.61
RAB9A P51151 1/20 0.61
TNFRSF1A P19438 2/20 0.57
NR1H4 Q96RI1 1/20 0.57
CYP1A1 P04798 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP1B1 Q16678 2/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CYP3A4 P08684 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
SCHEMBL7447179 1.00 PDE4B (0.74) PDE4BPDE4APDE4CPDE4DABCG2
SCHEMBL7301103 0.87 KDM4E (0.69) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL7301099 0.87 KDM4E (0.69) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL30025682 0.87 KDM4E (0.69) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL3133053 0.85 ABCG2 (0.85) PDE4BPDE4APDE4CPDE4DABCG2
SCHEMBL3133060 0.85 ABCG2 (0.85) PDE4BPDE4APDE4CPDE4DABCG2
SCHEMBL10365559 0.85 ABCG2 (0.85) PDE4BPDE4APDE4CPDE4DABCG2
SCHEMBL30384064 0.85 ABCG2 (0.85) PDE4BPDE4APDE4CPDE4DABCG2
SCHEMBL7357136 0.84 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL7929068 0.84 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0720600-B1 3-(3,4-DIOXYPHENYL)-PYRROLIDINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES ICOS CORP (US) 2000-07-12 EP disclosed
US-5665754-A Substituted pyrrolidines GLAXO WELLCOME INC. (US) 1997-09-09 US disclosed
EP-0720600-A1 3-(3,4-DIOXYPHENYL)-PYRROLIDINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO WELLCOME INC. (US) 1996-07-10 EP disclosed
WO-1995008534-A1 3-(3,4-DIOXYPHENYL)-PYRROLIDINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO WELLCOME INC. (US) 1995-03-30 WO disclosed