SCHEMBL8847629

SCHEMBL8847629

COc1ccc(CCCC(=O)C=Cc2ccc(OC3CCCCO3)c(OC3CCCCO3)c2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.49
NFE2L2 Q16236 1/20 0.47
ALOX5 P09917 1/20 0.47
MET P08581 2/20 0.45
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
APP P05067 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN1 P18031 1/20 0.42
CCR5 P51681 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LTA4H P09960 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL26669477 0.85 NFE2L2 (0.62) PDE4BNFE2L2ALOX5APPMEN1
SCHEMBL29503029 0.85 NFE2L2 (0.62) PDE4BNFE2L2ALOX5APPMEN1
SCHEMBL30531894 0.81 KDM4E (0.60) PDE4BNFE2L2KMT2APTPN1KDM4E
SCHEMBL24367560 0.81 KDM4E (0.60) PDE4BNFE2L2KMT2APTPN1KDM4E
SCHEMBL9013036 0.81 KDM4E (0.60) PDE4BNFE2L2KMT2APTPN1KDM4E
SCHEMBL28709362 0.81 NFE2L2 (0.56) PDE4BNFE2L2ALOX5APPMEN1
SCHEMBL11959784 0.81 ABCG2 (0.63) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL20117563 0.80 KMT2A (0.54) PDE4BNFE2L2PDE4APDE4CPDE4D
SCHEMBL13311132 0.79 MEN1 (0.49) PDE4BMEN1KMT2APTPN1KDM4E
SCHEMBL29488042 0.79 FDPS (0.59) PDE4BNFE2L2PTPN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5610169-A Pharmaceutical Composition containing slightly water-soluble drug THE GREEN CROSS CORPORATION (JP) 1997-03-11 US disclosed
US-5462951-A Dissolved in a polyoxyethylene sorbitan fatty acid ester and adsorbed onto a porosity inorganic substance THE GREEN CROSS CORPORATION (JP) 1995-10-31 US disclosed
EP-0466198-A1 A lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1992-01-15 EP disclosed
EP-0466197-A1 A lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1992-01-15 EP disclosed
EP-0464859-A1 A lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1992-01-08 EP disclosed
EP-0464858-A1 A lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1992-01-08 EP disclosed
EP-0448091-A2 Pharmaceutical composition containing slightly water-soluble drug THE GREEN CROSS CORPORATION (JP) 1991-09-25 EP disclosed
US-4733002-A Lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1988-03-22 US disclosed
EP-0163270-A2 A lipoxygenase inhibitor GREEN CROSS CORPORATION (JP) 1985-12-04 EP disclosed