SCHEMBL30829070

SCHEMBL30829070

NCCCC[C@@H](N)C(=O)N[C@H](C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.53
GSR P00390 1/20 0.49
LTA4H P09960 2/20 0.48
CPB2 Q96IY4 1/20 0.46
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 2/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.45
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
ANPEP P15144 1/20 0.43

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
SCHEMBL31620930 1.00 MMP2 (0.53) MMP2GSRLTA4HCPB2DPP8
SCHEMBL13598088 0.85 MMP2 (0.56) MMP2GSRLTA4HCPB2DPP8
SCHEMBL11518823 0.85 MMP2 (0.56) MMP2GSRLTA4HCPB2DPP8
SCHEMBL13271776 0.84 HTR2A (0.47) MMP2LTA4HDPP8DPP9DPP7
SCHEMBL2739527 0.83 LTA4H (0.48) LTA4HNAALAD2GRM2GRM3ANPEP
SCHEMBL30426371 0.80 MMP2 (0.53) MMP2LTA4HCPB2
SCHEMBL31181302 0.79 NAALAD2 (0.49) LTA4HNAALAD2GRM2GRM3ANPEP
SCHEMBL5970334 0.79 MMP2 (0.49) MMP2LTA4HNAALAD2ANPEP
SCHEMBL26002979 0.79 MMP2 (0.45) MMP2LTA4HCPB2DPP8DPP9
SCHEMBL11888382 0.79 MMP2 (0.49) MMP2GSRLTA4HCPB2DPP8

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-4598592-A1 A COMPOUND AND ITS USE FOR DETECTING A DISEASE IN THE EXHALED BREATH OF A SUBJECT Owlstone Medical Limited (GB) 2025-08-13 EP disclosed
WO-2024074813-A1 A COMPOUND AND ITS USE FOR DETECTING A DISEASE IN THE EXHALED BREATH OF A SUBJECT OWLSTONE MEDICAL LIMITED (GB) 2024-04-11 WO disclosed