SCHEMBL10102754

SCHEMBL10102754

CC(C)[C@H](CC(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LTA4H P09960 1/20 0.33
GRIK1 P39086 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACE P12821 1/20 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
SCHEMBL23727613 0.90 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1ALDH1A1SMN1; SMN2
SCHEMBL19248954 0.86 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1CES2CES1
SCHEMBL8531959 0.78 CES2 (0.44) SLC1A3SLC1A2SLC1A1CES2CES1
SCHEMBL5909830 0.78 CES2 (0.44) CES2CES1ALDH1A1SMN1; SMN2HDAC8
SCHEMBL16144923 0.76 CES2 (0.42) CES2CES1ALDH1A1SMN1; SMN2HDAC8
SCHEMBL9083123 0.74 HPGD (0.54) ALDH1A1SMN1; SMN2
SCHEMBL2447963 0.74 HPGD (0.54) ALDH1A1SMN1; SMN2
SCHEMBL2447962 0.74 HPGD (0.54) ALDH1A1SMN1; SMN2
SCHEMBL7441304 0.73 GRIK1 (0.53) SLC1A3SLC1A2SLC1A1CES2CES1
SCHEMBL21197392 0.73 LTA4H (0.44) SLC1A3SLC1A2SLC1A1LTA4H

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-2409569-A2 Method for administering GLP-1 molecules Emisphere Technologies, Inc. (US) 2012-01-25 EP disclosed