SCHEMBL21600751

SCHEMBL21600751

NC(=O)CCCCC(=O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 2/20 0.48
MAPK1 P28482 1/20 0.48
SLC13A3 Q8WWT9 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
LMNA P02545 3/20 0.40
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
KMT2A Q03164 3/20 0.39
PMP22 Q01453 2/20 0.39
ALOX15 P16050 2/20 0.39
BLM P54132 2/20 0.39
NFKB1 P19838 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
HAO1 Q9UJM8 1/20 0.38
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 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
SCHEMBL6267121 0.94 OR51E2 (0.48) OR51E2MAPK1SLC13A3EGLN1LMNA
SCHEMBL1062796 0.85 OR51E2 (0.58) OR51E2MAPK1SLC13A3EGLN1LMNA
SCHEMBL10961683 0.84 OR51E2 (0.56) OR51E2MAPK1SLC13A3EGLN1LMNA
SCHEMBL10957816 0.84 OR51E2 (0.56) OR51E2MAPK1SLC13A3EGLN1LMNA
SCHEMBL10963354 0.84 OR51E2 (0.56) OR51E2MAPK1SLC13A3EGLN1LMNA
SCHEMBL10960960 0.84 OR51E2 (0.56) OR51E2MAPK1SLC13A3EGLN1LMNA
SCHEMBL10964715 0.84 OR51E2 (0.56) OR51E2MAPK1SLC13A3EGLN1LMNA
SCHEMBL10959418 0.84 OR51E2 (0.56) OR51E2MAPK1SLC13A3EGLN1LMNA
SCHEMBL10962384 0.84 OR51E2 (0.56) OR51E2MAPK1SLC13A3EGLN1LMNA
SCHEMBL10961559 0.84 OR51E2 (0.56) OR51E2MAPK1SLC13A3EGLN1LMNA

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
WO-2019241851-A1 INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2019-12-26 WO disclosed