SCHEMBL21780896

SCHEMBL21780896

CC(C)C(C)NC(=O)COCCOCCN1C(=O)C=CC1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
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
FAAH O00519 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 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
SCHEMBL31520126 0.89 MGLL (0.54) MGLLSMN1; SMN2HPGDGAANPSR1
SCHEMBL20802043 0.89 MGLL (0.54) MGLLSMN1; SMN2HPGDGAANPSR1
SCHEMBL26895628 0.88 MGLL (0.51) MGLLSMN1; SMN2HPGDGAANPSR1
SCHEMBL22109578 0.80 MGLL (0.43) MGLL
SCHEMBL10173317 0.79 MGLL (0.62) MGLLSMN1; SMN2HPGDNPSR1ALDH1A1
SCHEMBL25579882 0.79 MGLL (0.62) MGLLSMN1; SMN2HPGDNPSR1ALDH1A1
SCHEMBL14968555 0.78 MGLL (0.44) MGLL
SCHEMBL23506482 0.78 PTGS1 (0.41) MGLLSMN1; SMN2HPGDGAANPSR1
SCHEMBL27269360 0.78 MGLL (0.56) MGLLSMN1; SMN2HPGDNPSR1ALDH1A1
SCHEMBL30193481 0.78 MGLL (0.57) MGLLSMN1; SMN2HPGDGAAALDH1A1

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
EP-3229844-B1 ANTIBODY DRUG CONJUGATES WITH CELL PERMEABLE BCL-XL INHIBITORS ABBVIE INC (US) 2020-03-04 EP disclosed