SCHEMBL9484454

SCHEMBL9484454

CC(C)COC(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
AKT1 P31749 1/20 0.43
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
WRN Q14191 1/20 0.39
HIF1A Q16665 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL24726775 0.80 AKT1 (0.45) LMNAALDH1A1AKT1MAPK1HTT
SCHEMBL18973738 0.80 AKT1 (0.40) LMNAALDH1A1AKT1MAPK1HTT
SCHEMBL23432931 0.76 PGA5 (0.36) AKT1
SCHEMBL16307668 0.76 SMN1; SMN2 (0.49) LMNAALDH1A1AKT1MAPK1HTT
SCHEMBL24024229 0.76 OPRM1 (0.35) LMNAALDH1A1AKT1OPRM1OPRD1
SCHEMBL12286466 0.76 MGLL (0.43) LMNAALDH1A1AKT1MAPK1HTT
SCHEMBL16731691 0.76 AKT1 (0.47) LMNAALDH1A1AKT1MAPK1HTT
SCHEMBL21648873 0.75 MGLL (0.51) LMNAALDH1A1AKT1HTTSMN1; SMN2
SCHEMBL998261 0.75 AKT1 (0.59) ALDH1A1AKT1MEN1KMT2ATDP1
SCHEMBL20574342 0.74 AKT1 (0.53) ALDH1A1AKT1MEN1KMT2ATDP1

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
US-5180816-A One vial method for labeling protein/linker conjugates with technetium-99M CENTOCOR (US) 1993-01-19 US disclosed
US-5144043-A Coupling protein or peptide to radionucleotide; labeling antibodies CENTOCOR (US) 1992-09-01 US disclosed