SCHEMBL25825902

SCHEMBL25825902

CCOC(=O)Cc1noc2c3c(ccc12)CN(C(=O)OC(C)(C)C)C3

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ESR2 Q92731 1/20 0.36
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
NR1H2 P55055 2/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 3/20 0.33
ADORA1 P30542 1/20 0.33
MAPK1 P28482 1/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
MTOR P42345 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
SCHEMBL25604199 0.92 ESR2 (0.43) L3MBTL1HDAC1SMN1; SMN2ESR2NR1H2
SCHEMBL25825901 0.88 SMN1; SMN2 (0.44) HDAC1SMN1; SMN2ESR2DDB1CRBN
SCHEMBL25604356 0.87 ESR2 (0.39) L3MBTL1SMN1; SMN2ESR2NR1H2RECQL
SCHEMBL25826024 0.85 L3MBTL1 (0.37) L3MBTL1SMN1; SMN2RECQLALDH1A1MEN1
SCHEMBL25604265 0.85 L3MBTL1 (0.37) L3MBTL1SMN1; SMN2RECQLALDH1A1MEN1
SCHEMBL25825841 0.84 L3MBTL1 (0.37) L3MBTL1SMN1; SMN2RECQLALDH1A1MEN1
SCHEMBL25604142 0.81 L3MBTL1 (0.39) L3MBTL1HDAC1SMN1; SMN2ESR2DDB1
SCHEMBL25604198 0.79 ESR2 (0.46) HDAC1SMN1; SMN2ESR2DDB1CRBN
SCHEMBL25604262 0.79 ESR2 (0.46) SMN1; SMN2ESR2NR1H2ADORA1MAPK1
SCHEMBL25604491 0.75 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2RECQLALDH1A1MAPK1

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-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed