SCHEMBL8589271

SCHEMBL8589271

CC(C)(C)OC(=O)N1CC[C@H]1CO.O=C(O)C1CCN1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
PARP1 P09874 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NR1H2 P55055 1/20 0.36
ATM Q13315 2/20 0.33

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
SCHEMBL8589267 1.00 HSD17B10 (0.39) HSD17B10PARP1SMN1; SMN2NR1H2ATM
SCHEMBL71903 0.86 NR1H2 (0.45) HSD17B10SMN1; SMN2NR1H2ATM
SCHEMBL71904 0.86 NR1H2 (0.45) HSD17B10SMN1; SMN2NR1H2ATM
SCHEMBL283443 0.86 NR1H2 (0.45) HSD17B10SMN1; SMN2NR1H2ATM
Hydrochloric Acid SCHEMBL5780705 0.85 HSD17B10 (0.37) HSD17B10PARP1NR1H2
Hydrochloric Acid SCHEMBL5780709 0.85 HSD17B10 (0.37) HSD17B10PARP1NR1H2
SCHEMBL8589268 0.79 PARP1 (0.35) HSD17B10PARP1SMN1; SMN2ATM
SCHEMBL135177 0.77 L3MBTL1 (0.58) HSD17B10SMN1; SMN2NR1H2ATM
SCHEMBL47049 0.77 L3MBTL1 (0.58) HSD17B10SMN1; SMN2NR1H2ATM
SCHEMBL133363 0.77 L3MBTL1 (0.58) HSD17B10SMN1; SMN2NR1H2ATM

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-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed