SCHEMBL7733862

SCHEMBL7733862

[CH2]/C=C/c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.60
PDE4D Q08499 6/20 0.57
PDE4A P27815 5/20 0.57
PDE4C Q08493 4/20 0.57
PDE3A Q14432 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
SCHEMBL31590778 0.85 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL31619157 0.85 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL7326510 0.83 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL7326505 0.83 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL70835 0.82 ALDH1A1 (0.64) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL29808190 0.82 ALDH1A1 (0.64) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL7560477 0.82 ALDH1A1 (0.64) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL1389060 0.82 ALDH1A1 (0.68) PDE4BPDE4DPDE4APDE4C
SCHEMBL13677859 0.82 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CPDE3A
SCHEMBL8067384 0.82 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CPDE3A

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
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed