SCHEMBL750378

SCHEMBL750378

CC(C)(C)OC(=O)C1CC(F)(F)CN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19484832 0.88 HDAC8 (0.37) MAPK1DPP4DPP8DPP7HRH3
SCHEMBL3012517 0.82 PEPD (0.39) DPP4DPP8DPP7
SCHEMBL1701540 0.79 PTPN1 (0.40) DPP4DPP8DPP7HSD17B10
SCHEMBL2207075 0.79 PTPN1 (0.40) DPP4DPP8DPP7HSD17B10
SCHEMBL706243 0.79 PTPN1 (0.40) DPP4DPP8DPP7HSD17B10
SCHEMBL193268 0.78 HSD17B10 (0.41) HSD17B10
SCHEMBL185992 0.78 HSD17B10 (0.41) HSD17B10
SCHEMBL1848946 0.78 HSD17B10 (0.41) HSD17B10
SCHEMBL3471343 0.76 PDK1 (0.44)
SCHEMBL27089331 0.76 DPP4 (0.33) DPP4DPP8DPP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed