SCHEMBL4452797

SCHEMBL4452797

COc1ccc(C(C)=NNC(=O)O)cc1OC1CCCC1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.67
PDE4D Q08499 8/20 0.67
MAPK14 Q16539 1/20 0.67
PDE4A P27815 7/20 0.60
PDE4C Q08493 7/20 0.60
PDE5A O76074 1/20 0.55
PDE1A P54750 1/20 0.55
PDE1B Q01064 1/20 0.55
PDE1C Q14123 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
SCHEMBL29824899 1.00 PDE4B (0.67) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL5309884 0.82 PDE4D (0.67) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL7338134 0.82 PDE4D (0.80) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL7338128 0.82 PDE4D (0.80) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL14457690 0.81 PDE4D (0.84) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL7322767 0.81 PDE4D (0.70) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL7322765 0.81 PDE4D (0.70) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL128167 0.81 PDE4B (0.70) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL30009845 0.81 PDE4B (0.80) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL1028427 0.81 PDE4B (0.80) PDE4BPDE4DMAPK14PDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507707-B2 Methods of inducing ovulation using a non-polypeptide camp level modulator LABORATOIRES SERONO SA (CH) 2009-03-24 US claimed
US-7507707-B2 Methods of inducing ovulation using a non-polypeptide camp level modulator LABORATOIRES SERONO SA (CH) 2009-03-24 US disclosed