SCHEMBL16200514

SCHEMBL16200514

CC(=O)c1cccc(CC(N)C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.50
ANPEP P15144 1/20 0.50
ENPEP Q07075 1/20 0.50
EPHX1 P07099 1/20 0.46
MAOB P27338 2/20 0.43
GRIA2 P42262 1/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FOLH1 Q04609 1/20 0.40

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
SCHEMBL11981917 1.00 SLC7A5 (0.50) SLC7A5ANPEPENPEPEPHX1MAOB
SCHEMBL14640313 0.86 ANPEP (0.63) SLC7A5ANPEPENPEPFOLH1
SCHEMBL1043826 0.83 ANPEP (0.55) SLC7A5ANPEPENPEPEPHX1
SCHEMBL6105481 0.83 ANPEP (0.55) SLC7A5ANPEPENPEPEPHX1
SCHEMBL9663627 0.82 SLC7A5 (0.49) SLC7A5ANPEPENPEPGRIA2NOS3
SCHEMBL7176658 0.81 PRSS1 (0.56)
SCHEMBL7176662 0.81 PRSS1 (0.56)
SCHEMBL455835 0.81 SLC7A5 (0.73) SLC7A5ANPEPENPEPGRIA2NOS3
SCHEMBL37182814 0.81 SLC7A5 (0.73) SLC7A5ANPEPENPEPGRIA2NOS3
SCHEMBL455836 0.81 SLC7A5 (0.73) SLC7A5ANPEPENPEPGRIA2NOS3

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-2796546-A1 In vivo incorporation of unnatural amino acids The Scripps Research Institute (US) 2014-10-29 EP disclosed