SCHEMBL9033494

SCHEMBL9033494

C=C(C)COc1ccc(N2CC(c3ccc(C(=O)O)c(OC)c3)CC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.54
PDE4B Q07343 6/20 0.54
PDE4C Q08493 6/20 0.54
PDE4D Q08499 6/20 0.54
TP53 P04637 3/20 0.45
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL10435874 0.89 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL10435858 0.87 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL10435870 0.87 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL10435894 0.87 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL10435881 0.87 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL10435856 0.86 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL10435863 0.85 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL10435861 0.85 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL10435843 0.85 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL9732466 0.84 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DTP53

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-0393607-B1 Phenylcarboxylic acid derivatives having a hetero ring OTSUKA PHARMA CO LTD (JP) 1996-02-21 EP claimed
EP-0393607-A2 Phenylcarboxylic acid derivatives having a hetero ring OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-24 EP claimed
EP-0393607-A2 Phenylcarboxylic acid derivatives having a hetero ring OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-24 EP disclosed