SCHEMBL7742008

SCHEMBL7742008

CC(C)(C)NCC(=O)N1C(=O)O[C@H]1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.39
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 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
SCHEMBL7736237 0.64 POLB (0.36)
SCHEMBL41886 0.63
SCHEMBL1717828 0.63 HMGCR (0.41) DPP4DPP8DPP9
Methane SCHEMBL27575418 0.61 HMGCR (0.39) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL1092821 0.61 HMGCR (0.39) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL28883817 0.61 HMGCR (0.39) DPP4DPP8DPP9
SCHEMBL17559271 0.61 HMGCR (0.39) DPP4DPP8DPP9
Acetic Acid SCHEMBL20839531 0.59 CTH (0.42) DPP4DPP8DPP9
SCHEMBL23642142 0.59 L3MBTL1 (0.48) DPP4DPP8DPP9
SCHEMBL24491640 0.59 DPP4 (0.46) DPP4DPP8DPP9DPP7

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
US-6417197-B1 PRODRUGS FORMED WITH ESTERIFICATION AND ACIDIFICATION GRUENENTHAL GMBH (DE) 2002-07-09 US disclosed