SCHEMBL28021974

SCHEMBL28021974

CC(C)(C)C(=O)ON1CCCC1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
ENO1 P06733 1/20 0.32
DPP4 P27487 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
SCHEMBL28021961 1.00 HSD17B10 (0.33) HSD17B10LMNACYP2C19ENO1DPP4
SCHEMBL27649009 0.95 FKBP1A (0.34)
SCHEMBL10770001 0.85 HSD17B10 (0.33) HSD17B10LMNACYP2C19ENO1
SCHEMBL28178861 0.83 DPP4 (0.33) DPP4
SCHEMBL10769997 0.83 HSD17B10 (0.33) HSD17B10LMNACYP2C19ENO1
SCHEMBL28284120 0.83 POLB (0.32) HSD17B10LMNACYP2C19ENO1
SCHEMBL27801798 0.83 FKBP1A (0.35) LMNA
SCHEMBL28870856 0.83 POLB (0.32) HSD17B10LMNACYP2C19ENO1
SCHEMBL1307458 0.81 GAA (0.32) DPP4
SCHEMBL28051067 0.79 ENO1 (0.33) ENO1DPP4

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
CN-103596941-B Anti-viral compounds ABBVIE INC 2015-07-08 CN disclosed