SCHEMBL16628746

SCHEMBL16628746

CCC1(O)CCC2(CCN(c3ccc(C4(S(=O)(=O)O)CC4)cc3)C2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 14/20 0.50
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL16628806 0.91 LIPE (0.62) LIPEITGB3ITGA2BEGLN1
SCHEMBL16628805 0.91 LIPE (0.62) LIPEITGB3ITGA2BEGLN1
SCHEMBL16628699 0.80 LIPE (0.53) LIPEITGB3ITGA2BEGLN1
SCHEMBL10918 0.79 LIPE (0.56) LIPEITGB3ITGA2BEGLN1
SCHEMBL10917 0.79 LIPE (0.56) LIPEITGB3ITGA2BEGLN1
SCHEMBL1589785 0.76 LIPE (0.58) LIPE
SCHEMBL12702275 0.76 LIPE (0.72) LIPEEGLN1
SCHEMBL10454 0.76 LIPE (0.72) LIPEEGLN1
SCHEMBL1589024 0.76 LIPE (0.58) LIPE
SCHEMBL1589842 0.75 LIPE (0.83) LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488493-B1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2015-04-15 EP claimed