SCHEMBL27615557

SCHEMBL27615557

C[C@H](N)C(=O)Oc1ccc(C(=O)CC[C@H](N)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.44
ELANE P08246 2/20 0.43
ALDH1A1 P00352 2/20 0.41
THRB P10828 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4B Q07343 1/20 0.39
KIF11 P52732 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GSR P00390 1/20 0.39
CYP1A2 P05177 1/20 0.39
GRIK1 P39086 1/20 0.39
GRM5 P41594 1/20 0.39
GRIA1 P42261 1/20 0.39

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
SCHEMBL9222833 0.82 PDE4B (0.58) LTA4HALDH1A1PDE4BKIF11MAPT
Glutamic Acid SCHEMBL9857957 0.80 PTPN1 (0.47) THRBHSD17B10GRM8GRM6GRIN2D
SCHEMBL29131648 0.79 ELANE (0.50) ELANEALDH1A1NPC1RAB9ASTS
Alanine SCHEMBL28279098 0.79 LTA4H (0.50) LTA4HALDH1A1TSHRKIF11MAPT
SCHEMBL18172341 0.78 KMT2A (0.50) LTA4HELANEALDH1A1HSD17B10MAPT
SCHEMBL5997834 0.78 STS (0.59) THRBNPC1HRH2HRH1STS
SCHEMBL364405 0.77 KMT2A (0.56) ELANEALDH1A1TSHRHSD17B10TP53
SCHEMBL4629444 0.77 SLC7A5 (0.56) ALDH1A1THRBHSD17B10MAPTCYP1A2
SCHEMBL4292923 0.77 ELANE (0.47) ELANEALDH1A1HSD17B10
SCHEMBL9937712 0.77 SLC7A5 (0.56) ALDH1A1THRBHSD17B10MAPTCYP1A2

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