SCHEMBL4598387

SCHEMBL4598387

CC(C)(C)[Si](C)(C)OCCOCCOCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.40
TSHR P16473 1/20 0.32
CTH P32929 1/20 0.32
CBS P35520 1/20 0.32
THPO P40225 1/20 0.32
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL34465027 0.98 DUT (0.41) DUTTSHRCTHCBSTHPO
SCHEMBL15061387 0.87 DUT (0.36) DUTTSHRCTHCBSTHPO
SCHEMBL31637875 0.85 DUT (0.40) DUTBLMPMP22HSD17B10
SCHEMBL28436718 0.84 DUT (0.32) DUT
SCHEMBL21068886 0.83 EPHX2 (0.38) DUT
SCHEMBL21068889 0.83 EPHX2 (0.38) DUT
SCHEMBL31638020 0.82 TSHR (0.41) DUTTSHRPMP22HSD17B10
SCHEMBL20438667 0.81 DUT (0.40) DUT
SCHEMBL29101949 0.80 DUT (0.39) DUTTSHRHSD17B10
SCHEMBL2163046 0.80 TSHR (0.40) TSHRCTHCBSTHPOTHRB

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
EP-1879891-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-23 EP disclosed
EP-1877410-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-16 EP disclosed
WO-2006117315-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECCTIVE ACTIVITY NYCOMED GMBH (DE) 2006-11-09 WO disclosed
WO-2006117316-A1 MUTUAL PRODRUG COMPOUNDS FOR USE US ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY NYCOMED GMBH (DE) 2006-11-09 WO disclosed