SCHEMBL29328248

SCHEMBL29328248

C=C(CCCCC)C(N)CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
SPHK1 Q9NYA1 3/20 0.38
ALDH1A1 P00352 1/20 0.37
SPHK2 Q9NRA0 1/20 0.37
TP53 P04637 2/20 0.36
LAP3 P28838 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
CYP2D6 P10635 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL12128370 0.83 ANPEP (0.34) OPRM1SPHK1SPHK2TP53LAP3
SCHEMBL22986927 0.83 SPHK2 (0.41) SPHK1ALDH1A1SPHK2CES2CES1
SCHEMBL22824686 0.83 OPRM1 (0.44) OPRM1SPHK1TP53LAP3DPP7
SCHEMBL13754602 0.81 SPHK1 (0.35) OPRM1SPHK1SPHK2TP53LAP3
SCHEMBL9560537 0.77
SCHEMBL13191824 0.76 ANPEP (0.35) OPRM1SLC1A2SLC1A1
SCHEMBL23374166 0.76 SPHK1 (0.43) OPRM1SPHK1ALDH1A1SPHK2CES2
SCHEMBL12134906 0.74 CES2 (0.52) ALDH1A1DPP7DPP4DPP8DPP9
SCHEMBL7743695 0.74 FFAR4 (0.42) ALDH1A1CES2CES1LMNA
SCHEMBL31521547 0.72 CA2 (0.42) ALDH1A1CES2CES1LMNA

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-4063374-B1 METHOD FOR PREPARING L-GLUFOSINATE LIER CHEMICAL CO LTD (CN) 2024-07-17 EP disclosed