SCHEMBL9682307

SCHEMBL9682307

CC(=O)[C@@](N)([C]=O)CCCCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.39
FDPS P14324 3/20 0.35
ODC1 P11926 2/20 0.33
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
LMNA P02545 2/20 0.32
BLM P54132 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLG P00747 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
SLC6A2 P23975 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL9617305 0.74 PAOX (0.44) PAOXFDPSODC1CYP2D6NFKB1
SCHEMBL15315407 0.74 PAOX (0.44) PAOXFDPSODC1CYP2D6NFKB1
SCHEMBL25726352 0.72 PAOX (0.43) PAOXFDPSODC1CYP2D6NFKB1
SCHEMBL449961 0.72 PAOX (0.48) PAOXFDPSODC1CYP2D6NFKB1
SCHEMBL3237407 0.70 FDPS (0.45) FDPSODC1CYP2D6NFKB1LMNA
SCHEMBL18121151 0.70 FDPS (0.45) PAOXFDPSODC1CYP2D6NFKB1
SCHEMBL13748558 0.70 PAOX (0.44) PAOXFDPSODC1CYP2D6NFKB1
SCHEMBL522663 0.69 ODC1 (0.42) PAOXFDPSODC1CYP2D6NFKB1
SCHEMBL303672 0.69 PAOX (0.40) PAOXFDPSODC1CYP2D6NFKB1
SCHEMBL522662 0.69 ODC1 (0.42) PAOXFDPSODC1CYP2D6NFKB1

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-0468946-A1 Enzymatic method of determining beta-lactam ring antibiotics UCB-BIOPRODUCTS, S.A. (BE) 1992-01-29 EP disclosed