SCHEMBL8327871

SCHEMBL8327871

CCC(C)C(C(=O)O)N1Cc2c(cc(O)c3c2OC2(C3)C(C)CCC3C(C)(C)C(O)CCC32C)C1=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 3/20 0.59
ST3GAL1 Q11201 2/20 0.59
ST3GAL3 Q11203 2/20 0.59
FUT6 P51993 1/20 0.52
FUT5 Q11128 1/20 0.52
TNF P01375 1/20 0.31
ACHE P22303 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
SCHEMBL8324407 0.88 ST6GAL1 (0.61) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL29711314 0.83 ST6GAL1 (0.56) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL29711431 0.80 ST6GAL1 (0.52) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL29711447 0.80 ST6GAL1 (0.52) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL30416028 0.74 ST6GAL1 (0.73) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL29406636 0.64 ST6GAL1 (0.60) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL30789026 0.62 ST6GAL1 (0.56) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL30789025 0.62 ST6GAL1 (0.56) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL13663950 0.58 ALOX5 (0.38)
SCHEMBL8147735 0.54 ST6GAL1 (0.46) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5

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-1572697-B1 SPIROBENZOFURANLACTAM DERIVATIVES, METHODS FOR THEIR PREPARATION, AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2007-02-21 EP disclosed
US-7160917-B2 Spirobenzofuran lactams and their derivatives, processes for their preparation and use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-09 US disclosed
US-7160917-B2 Spirobenzofuran lactams and their derivatives, processes for their preparation and use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-09 US disclosed
WO-2004055021-A1 NOVEL SPIROBENZOFURANLACTAMS AND THE DERIVATIVES THEREOF, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-01 WO disclosed