SCHEMBL28616258

SCHEMBL28616258

COC(=O)[C@H]1CC[C@@H](N2CCOCC2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
PRCP P42785 6/20 0.38
KCNH2 Q12809 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL1700365 1.00 TP53 (0.39) TP53PRCPKCNH2SMN1; SMN2DPP4
SCHEMBL1700363 1.00 TP53 (0.39) TP53PRCPKCNH2SMN1; SMN2DPP4
SCHEMBL2944007 0.90 TP53 (0.45) TP53SMN1; SMN2L3MBTL3L3MBTL1LMNA
SCHEMBL2944005 0.90 TP53 (0.45) TP53SMN1; SMN2L3MBTL3L3MBTL1LMNA
SCHEMBL24107443 0.88 CHRNB2 (0.42) TP53SMN1; SMN2L3MBTL3L3MBTL1LMNA
SCHEMBL25770092 0.88 CHRNB2 (0.42) TP53SMN1; SMN2L3MBTL3L3MBTL1LMNA
SCHEMBL29284129 0.82 TP53 (0.40) TP53SMN1; SMN2DPP4DPP8DPP9
SCHEMBL16111972 0.79 PRCP (0.41) PRCPKCNH2SMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL31466475 0.76 DPP4 (0.40) PRCPKCNH2SMN1; SMN2DPP4L3MBTL3
SCHEMBL28929205 0.75 L3MBTL3 (0.35) PRCPKCNH2SMN1; SMN2L3MBTL3L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109897038-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2022-04-05 CN disclosed
CN-108175749-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2021-09-10 CN disclosed