SCHEMBL6560877

SCHEMBL6560877

N[C@@H](CCO)C(=O)N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)C(=O)N[C@@H](CC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.47
METAP1 P53582 3/20 0.47
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
MMP3 P08254 3/20 0.35
MMP12 P39900 3/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MMP2 P08253 3/20 0.35
ITGAV P06756 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGB6 P18564 1/20 0.35
CTSA P10619 1/20 0.35
GPR88 Q9GZN0 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6559295 0.93 METAP2 (0.47) METAP2METAP1ITGB3ITGA2BMMP3
Hydrochloric Acid SCHEMBL6558826 0.93 METAP2 (0.45) METAP2METAP1ITGB3ITGA2BMMP3
SCHEMBL7741760 0.93 METAP2 (0.47) METAP2METAP1MMP3MMP2GPR88
SCHEMBL6559017 0.93 METAP2 (0.47) METAP2METAP1MMP3MMP2GPR88
Hydrochloric Acid SCHEMBL6559352 0.91 METAP2 (0.44) METAP2METAP1ITGB3ITGA2BMMP3
SCHEMBL6558578 0.91 METAP2 (0.44) METAP2METAP1ITGB3ITGA2BMMP3
SCHEMBL6558509 0.91 METAP2 (0.44) METAP2METAP1ITGB3ITGA2BMMP3
SCHEMBL6558517 0.91 METAP2 (0.44) METAP2METAP1ITGB3ITGA2BMMP3
SCHEMBL6558573 0.91 METAP2 (0.44) METAP2METAP1ITGB3ITGA2BMMP3
Hydrochloric Acid SCHEMBL6559362 0.91 METAP2 (0.44) METAP2METAP1ITGB3ITGA2BMMP3

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-0998488-B1 POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-17 EP disclosed
US-6423869-B1 BACTERICIDES, ANTIULCER AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-07-23 US disclosed