SCHEMBL1663305

SCHEMBL1663305

NCC(N[C@H](CCC(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 5/20 0.54
GGH Q92820 1/20 0.48
GAA P10253 1/20 0.47
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
ADAMTS4 O75173 1/20 0.46
FOLH1 Q04609 5/20 0.43
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
RIMKLA Q8IXN7 1/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CPA3 P15088 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
SCHEMBL12002454 1.00 NAALAD2 (0.54) NAALAD2GGHGAAMMP9MMP8
Arginine SCHEMBL1663212 0.82 FOLH1 (0.39) NAALAD2GGHGAAMMP9MMP8
Arginine SCHEMBL1662071 0.82 FOLH1 (0.39) NAALAD2GGHGAAMMP9MMP8
Arginine SCHEMBL12002430 0.82 FOLH1 (0.39) NAALAD2GGHGAAMMP9MMP8
Arginine SCHEMBL1660453 0.82 FOLH1 (0.39) NAALAD2GGHGAAMMP9MMP8
SCHEMBL20543567 0.80 MME (0.51) NAALAD2
SCHEMBL20543568 0.80 MME (0.51) NAALAD2
SCHEMBL7750537 0.80 NAALAD2 (0.70) NAALAD2GGHGAAMMP9MMP8
SCHEMBL19418994 0.80 NAALAD2 (0.57) NAALAD2GGHGAAMMP9MMP8
SCHEMBL11172440 0.78 NAALAD2 (0.56) NAALAD2GGHGAAMMP9MMP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed