SCHEMBL16628805

SCHEMBL16628805

CCCC1(O)CCC2(CCN(c3ccc(C4(S(=O)(=O)O)CC4)cc3)C2=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 15/20 0.62
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
EGLN1 Q9GZT9 1/20 0.36

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 1.00 LIPE (0.62) LIPEITGB3ITGA2BEGLN1
SCHEMBL16628746 0.91 LIPE (0.50) LIPEITGB3ITGA2BEGLN1
SCHEMBL1590099 0.81 LIPE (0.70) LIPEEGLN1
SCHEMBL10019 0.80 LIPE (0.69) LIPEITGB3ITGA2B
SCHEMBL10020 0.80 LIPE (0.69) LIPEITGB3ITGA2B
SCHEMBL10336 0.80 LIPE (0.65) LIPEITGB3ITGA2B
SCHEMBL10267 0.79 LIPE (0.64) LIPEEGLN1
SCHEMBL12701947 0.79 LIPE (0.64) LIPEEGLN1
SCHEMBL1589604 0.78 LIPE (0.65) LIPE
SCHEMBL5626 0.78 LIPE (0.65) 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