SCHEMBL29705389

SCHEMBL29705389

Cn1c(=O)n(C(=O)OC(C)(C)C)c2ncc(O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRA5 P31644 4/20 0.37
GABRA1 P14867 3/20 0.35
GABRA6 Q16445 2/20 0.35
GABRA2 P47869 1/20 0.35
PIK3CA P42336 2/20 0.33
PRKDC P78527 2/20 0.33
TTK P33981 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MTOR P42345 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1H2 P55055 3/20 0.32
GABRA3 P34903 1/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL27215287 1.00 HSD17B10 (0.39) HSD17B10HPGDHTTGABRG2GABRB3
SCHEMBL29705392 0.86 HSD17B10 (0.58) HSD17B10HPGDHTTGABRG2GABRB3
SCHEMBL27215192 0.86 HSD17B10 (0.58) HSD17B10HPGDHTTGABRG2GABRB3
SCHEMBL27215181 0.78 USP30 (0.42) HSD17B10HPGDHTTGABRG2GABRB3
SCHEMBL29705273 0.78 USP30 (0.42) HSD17B10HPGDHTTGABRG2GABRB3
SCHEMBL2117880 0.75 HSD17B10 (0.47) HSD17B10GABRG2GABRB3GABRA5GABRA1
SCHEMBL29705350 0.74 GPR119 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA6
SCHEMBL27215101 0.74 GPR119 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA6
SCHEMBL28353831 0.70 LMNA (0.43) CA12CA9LMNAL3MBTL1NR1H2
SCHEMBL16002440 0.69 ALDH1A1 (0.42) HSD17B10HTTGABRG2GABRB3GABRA5

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-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 WO disclosed