SCHEMBL7929068

SCHEMBL7929068

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

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.68
PDE4D Q08499 4/20 0.68
PDE4A P27815 3/20 0.68
PDE4C Q08493 3/20 0.68
APP P05067 3/20 0.58
FDPS P14324 1/20 0.58
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
MAPK14 Q16539 1/20 0.53
KMT2A Q03164 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
SCHEMBL7929062 1.00 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CAPP
SCHEMBL15827634 0.94 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CAPP
SCHEMBL7331992 0.90 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL30025682 0.90 KDM4E (0.69) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7325725 0.90 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7357136 0.90 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7301103 0.90 KDM4E (0.69) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7301099 0.90 KDM4E (0.69) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7332000 0.90 PDE4B (0.68) PDE4BPDE4DPDE4APDE4CNFE2L2
SCHEMBL7326891 0.88 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248769-B1 ANTIINFLAMMATORY AGENT EURO-CELTIQUE S.A. (LU) 2001-06-19 US disclosed
US-6103749-A PHENYL IMIDAZOLE COMPOUNDS USEFUL FOR TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION AND DEPRESSION EURO-CELTIQUE S.A. (LU) 2000-08-15 US disclosed
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
WO-2000001387-A1 FUNGAL GROWTH INHIBITORS CELGRO, A DIVISION OF CELGENE CORPORATION (US) 2000-01-13 WO disclosed
US-5922751-A BRONCHODILATOR AND ANTIINFLAMMATORY AGENT WITHOUT UNDESIRABLE CARDIOVASCULAR STIMULATION CAUSED BY PHOSPHODIESTERASE III INHIBITOR EURO-CELTIQUE, S.A. (LU) 1999-07-13 US disclosed
US-5665754-A Substituted pyrrolidines GLAXO WELLCOME INC. (US) 1997-09-09 US disclosed