SCHEMBL28025841

SCHEMBL28025841

CCOc1cc(C(CS(C)(=O)=O)C(=O)C(CS(C)(=O)=O)c2ccc(OC)c(OCC)c2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.58
PDE4A P27815 12/20 0.58
PDE4C Q08493 12/20 0.58
PDE4D Q08499 12/20 0.58
HTR2B P41595 1/20 0.50
TSHR P16473 1/20 0.47

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
SCHEMBL29966493 0.91 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL28874609 0.91 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL15194522 0.85 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL22149144 0.85 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL18315415 0.85 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL29689563 0.85 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL23365792 0.85 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL18679863 0.85 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL22790744 0.83 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL15580926 0.82 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DHTR2B

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
CN-105461602-B The preparation method of the chiral methoxyl group α of 3 ethyoxyl of S or R 4 [(mesyl) methyl] phenmethylol 东华大学 2018-01-02 CN claimed
CN-105330586-B A kind of preparation method of Apremilast 东华大学 2017-12-22 CN claimed
CN-105461602-A Preparation method of chiral S/R-3-ethoxy-4-methoxy-alpha[(methylsulfonyl)methyl] benzyl alcohol NAT UNIV DONG HWA 2016-04-06 CN claimed
CN-105330586-A Preparation method of Apremilast NAT UNIV DONG HWA 2016-02-17 CN claimed
CN-105461602-B The preparation method of the chiral methoxyl group α of 3 ethyoxyl of S or R 4 [(mesyl) methyl] phenmethylol 东华大学 2018-01-02 CN disclosed
CN-105330586-B A kind of preparation method of Apremilast 东华大学 2017-12-22 CN disclosed
CN-105461602-A Preparation method of chiral S/R-3-ethoxy-4-methoxy-alpha[(methylsulfonyl)methyl] benzyl alcohol NAT UNIV DONG HWA 2016-04-06 CN disclosed
CN-105330586-A Preparation method of Apremilast NAT UNIV DONG HWA 2016-02-17 CN disclosed
CN-104761474-A Synthetic method of apremilast chiral amine intermediate ENANTIOTECH CORP LTD 2015-07-08 CN disclosed