SCHEMBL9658596

SCHEMBL9658596

CC(=O)NC=CCC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CRBN Q96SW2 1/20 0.33
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
SOAT1 P35610 1/20 0.32
KMT2A Q03164 1/20 0.32
TAS2R38 P59533 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
CNR1 P21554 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL9658593 1.00 MTNR1A (0.33) MTNR1AMTNR1BCRBNMEN1FAAH
SCHEMBL19449784 0.81 MTNR1A (0.35) MTNR1AMTNR1BKDM4E
SCHEMBL7190312 0.76
SCHEMBL11107958 0.76
SCHEMBL11092667 0.76 MTNR1A (0.33) MTNR1AMTNR1BTAS2R38
SCHEMBL11095942 0.76 MTNR1A (0.33) MTNR1AMTNR1BTAS2R38
SCHEMBL11092663 0.76 MTNR1A (0.33) MTNR1AMTNR1BTAS2R38
SCHEMBL17742738 0.75
SCHEMBL13019263 0.74 PAOX (0.41) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL7191918 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315716-B1 METHOD OF MAKING A DIASTEREOMERIC MIXTURE CONTAINING TWO DIASTEREOMERIC N-ACYL-AMINO ACID ESTERS THE STANDARD OIL COMPANY (US) 1992-09-02 EP disclosed
EP-0315716-A1 Method of making a diastereomeric mixture containing two diastereomeric N-acyl-amino acid esters THE STANDARD OIL COMPANY (US) 1989-05-17 EP disclosed
US-4721803-A Method of making a diastereomeric mixture containing two diastereomeric N-acyl-amino acid esters THE STANDARD OIL COMPANY (US) 1988-01-26 US disclosed