SCHEMBL28323931

SCHEMBL28323931

CC(C)(C)OC(=O)c1nccn1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GRM6 O15303 1/20 0.32
BRD4 O60885 1/20 0.32
GABRA1 P14867 4/20 0.32
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA2 P47869 4/20 0.32
GABRA3 P34903 3/20 0.32
HPGDS O60760 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATR Q13535 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
TET2 Q6N021 1/20 0.31
OGFOD1 Q8N543 1/20 0.31
TET1 Q8NFU7 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
HIF1AN Q9NWT6 1/20 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
SCHEMBL21051142 0.79 NAMPT (0.40) ALDH1A1LMNA
SCHEMBL7514677 0.77 JMJD6 (0.43) ALDH1A1GPR119OPRD1OPRK1LMNA
SCHEMBL28485619 0.74 L3MBTL1 (0.43) ALDH1A1NPSR1LMNA
SCHEMBL3273322 0.74 SMN1; SMN2 (0.33) ALDH1A1TET2TET1EGLN1HIF1AN
SCHEMBL28740303 0.72 JMJD6 (0.44) ALDH1A1GPR119OPRD1OPRK1LMNA
SCHEMBL27536831 0.72 HSP90AA1 (0.38) BRD4GPR119OPRD1OPRK1
SCHEMBL27797219 0.72 GPR119 (0.34) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL31421267 0.71 HSP90AA1 (0.45) ATRGPR119OPRD1OPRK1LMNA
SCHEMBL3168811 0.71 GPR119 (0.40) GABRG2GABRB3GPR119OPRD1OPRK1
SCHEMBL25736840 0.71 GPR119 (0.34) GPR119OPRD1OPRK1

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-106164072-B Monocyclic lactam organic compounds for the treatment of bacterial infections 诺华股份有限公司 2019-10-01 CN disclosed