SCHEMBL27615561

SCHEMBL27615561

CC(C(=O)O)N(C(=O)CCC(N)C(=O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTA4H P09960 4/20 0.43
KIF11 P52732 6/20 0.42
GRM2 Q14416 2/20 0.41
GRM3 Q14832 2/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GSR P00390 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIK1 P39086 1/20 0.41
GRM5 P41594 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
SLC1A3 P43003 1/20 0.41

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
SCHEMBL27596798 0.88 LTA4H (0.40) ALDH1A1LMNATP53SMN1; SMN2LTA4H
SCHEMBL11272120 0.80 ALDH1A1 (0.49) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL29131651 0.80 ALDH1A1 (0.51) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL6623670 0.80 ALDH1A1 (0.51) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL8922653 0.79 ALDH1A1 (0.54) ALDH1A1LMNATP53SMN1; SMN2KMT2A
Homocysteine SCHEMBL27887152 0.79 PKM (0.41) ALDH1A1LMNATP53SMN1; SMN2LTA4H
SCHEMBL7445267 0.79 MLYCD (0.55) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL20421705 0.78 ALDH1A1 (0.53) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL23086144 0.77 CES2 (0.49) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL30404353 0.77 CES2 (0.49) ALDH1A1LMNATP53SMN1; SMN2KMT2A

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
CN-1622755-A antiviral composition from onion and therapeutic use thereof DIEPON S A (UY) 2005-06-01 CN disclosed