SCHEMBL16869486

SCHEMBL16869486

CCC(C)[C@H](N)C(=O)OC1C(O)C(O)C(O)C(O)C1OC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.36
DPP8 Q6V1X1 7/20 0.34
DPP9 Q86TI2 7/20 0.34
DPP7 Q9UHL4 5/20 0.33
IARS1 P41252 6/20 0.33
FAP Q12884 2/20 0.31

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
SCHEMBL5024268 0.90 DPP4 (0.40) DPP4DPP8DPP9DPP7IARS1
SCHEMBL16869610 0.83 SLC7A5 (0.34)
SCHEMBL16869560 0.78 SLC7A5 (0.41) DPP4DPP8DPP9DPP7
SCHEMBL18864321 0.77 LGALS8 (0.47)
SCHEMBL16869482 0.74
SCHEMBL16869461 0.74 ALDH1A1 (0.32)
SCHEMBL16869477 0.74 ALDH1A1 (0.32)
SCHEMBL1770627 0.72 DPP4 (0.44) DPP4DPP8DPP9DPP7IARS1
SCHEMBL76741 0.72 DPP4 (0.44) DPP4DPP8DPP9DPP7IARS1
SCHEMBL1770623 0.72 DPP4 (0.44) DPP4DPP8DPP9DPP7IARS1

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
WO-2015099362-A1 D-PINITOL PRODRUG AND METHOD FOR PREPARING SAME 제일약품주식회사 2015-07-02 WO disclosed