SCHEMBL6530702

SCHEMBL6530702

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)c1noc(C2CCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
DPP4 P27487 4/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP7 Q9UHL4 2/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
USP30 Q70CQ3 3/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCN4A P35499 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KLK7 P49862 1/20 0.39
UCHL1 P09936 1/20 0.39

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
SCHEMBL6532079 0.97 HSD17B10 (0.47) HSD17B10DPP4DPP8DPP7KDM4E
SCHEMBL6527845 0.85 DPP4 (0.61) HSD17B10DPP4DPP8DPP7KDM4E
SCHEMBL6533019 0.84 DPP4 (0.61) HSD17B10DPP4DPP8DPP7KDM4E
SCHEMBL6528322 0.82 ALDH1A1 (0.48) HSD17B10DPP4DPP8DPP7KDM4E
SCHEMBL6533243 0.81 DPP4 (0.52) HSD17B10DPP4DPP8DPP7USP30
SCHEMBL6532093 0.81 HSD17B10 (0.45) HSD17B10DPP4DPP8DPP7KDM4E
SCHEMBL6510062 0.80 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL21163830 0.80 CPT1A (0.55) DPP4DPP8DPP7ALDH1A1LMNA
SCHEMBL6532912 0.79 DPP4 (0.48) HSD17B10DPP4DPP8DPP7KDM4E
SCHEMBL6530995 0.79 HSD17B10 (0.43) HSD17B10DPP4DPP8DPP7KDM4E

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-2005037828-A1 NOVEL INHIBITORS OF DPP-IV, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2005-04-28 WO disclosed