SCHEMBL8324407

SCHEMBL8324407

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

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 3/20 0.61
▸ ST3GAL1 Q11201 2/20 0.61
▸ ST3GAL3 Q11203 2/20 0.61
▸ FUT6 P51993 1/20 0.53
▸ FUT5 Q11128 1/20 0.53
▸ TNF P01375 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ HSD11B2 P80365 1/20 0.30

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
SCHEMBL13663950 0.61 ALOX5 (0.38) —
SCHEMBL13663952 0.59 ALOX5 (0.35) —
SCHEMBL22863220 0.58 ALOX5 (0.37) —
SCHEMBL24632196 0.57 ALOX5 (0.36) —
SCHEMBL23940968 0.57 ALOX5 (0.33) —
SCHEMBL8147735 0.56 ST6GAL1 (0.46) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8147732 0.56 ST6GAL1 (0.46) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL24827775 0.56 ALOX5 (0.38) —
SCHEMBL7415930 0.55 ALOX15 (0.69) —
SCHEMBL7415929 0.55 ALOX15 (0.69) —

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
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