SCHEMBL5496311

SCHEMBL5496311

CC(CCCS(N)(=O)=O)CC(C)CCOCCCCC(C)(C)CCC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.32

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
SCHEMBL3047320 0.85 TBXAS1 (0.38) TBXAS1
SCHEMBL3041593 0.85 TBXAS1 (0.38) TBXAS1
SCHEMBL3041305 0.83 TBXAS1 (0.38) TBXAS1
SCHEMBL3043244 0.80 FFAR1 (0.36) TBXAS1
SCHEMBL3045530 0.80 FFAR1 (0.36) TBXAS1
SCHEMBL3043293 0.80 ALDH1A1 (0.39) TBXAS1
SCHEMBL6267147 0.75 FFAR1 (0.47) TBXAS1
SCHEMBL3045997 0.75 FFAR1 (0.51)
SCHEMBL3043089 0.75 FFAR1 (0.51)
SCHEMBL13095193 0.74 CA2 (0.32)

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-1849760-A1 Ether compounds, compositions, and uses thereof Esperion Therapeutics Inc. (US) 2007-10-31 EP claimed