SCHEMBL9736882

SCHEMBL9736882

NCC(=O)OCCOCCN1C(=O)C=CC1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.65
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
WRN Q14191 1/20 0.41
HIF1A Q16665 1/20 0.41
GSK3A P49840 4/20 0.40
GSK3B P49841 4/20 0.40
FAAH O00519 4/20 0.38
HSP90AA1 P07900 1/20 0.37
TLR9 Q9NR96 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL19493077 0.83 MGLL (0.69) MGLLALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL28547221 0.83 MGLL (0.69) MGLLALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL30009171 0.80 MGLL (1.00) MGLLALDH1A1HPGDBLMGSK3A
SCHEMBL349749 0.80 MGLL (1.00) MGLLALDH1A1HPGDBLMGSK3A
SCHEMBL140275 0.80 MGLL (1.00) MGLLALDH1A1HPGDBLMGSK3A
SCHEMBL9643398 0.80 MGLL (1.00) MGLLALDH1A1HPGDBLMGSK3A
SCHEMBL15082420 0.80 MGLL (1.00) MGLLALDH1A1HPGDBLMGSK3A
SCHEMBL15483488 0.80 MGLL (1.00) MGLLALDH1A1HPGDBLMGSK3A
SCHEMBL9736344 0.80 MGLL (0.59) MGLLALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL17696612 0.80 MGLL (0.69) MGLLALDH1A1HPGDCYP1A2CYP2C19

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
US-5144043-A Coupling protein or peptide to radionucleotide; labeling antibodies CENTOCOR (US) 1992-09-01 US disclosed