SCHEMBL26895628

SCHEMBL26895628

CC(C)C(C)NC(=O)CCOCCN1C(=O)C=CC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.51
PTGS1 P23219 5/20 0.36
PTGS2 P35354 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.34
FAAH O00519 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL31520126 0.99 MGLL (0.54) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL20802043 0.99 MGLL (0.54) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL21780896 0.88 MGLL (0.54) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL26707209 0.87 MGLL (0.57) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL30193481 0.87 MGLL (0.57) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL24240484 0.86 MGLL (0.40) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL23506482 0.85 PTGS1 (0.41) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL14968555 0.84 MGLL (0.44) MGLL
SCHEMBL24476267 0.84 MGLL (0.46) MGLLPTGS1PTGS2HPGDALDH1A1
SCHEMBL26875609 0.84 MGLL (0.46) MGLLPTGS1PTGS2HPGDALDH1A1

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-2023225320-A1 EPHA2 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed