SCHEMBL6559275

SCHEMBL6559275

C=CC[C@H](N)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 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.42
METAP1 P53582 3/20 0.42
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
ITGAV P06756 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGB6 P18564 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.34
MMP12 P39900 3/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
CTSA P10619 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GPR88 Q9GZN0 1/20 0.32

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
SCHEMBL6559287 1.00 METAP2 (0.42) METAP2METAP1ITGB3ITGA2BITGAV
SCHEMBL6564344 0.91 METAP2 (0.41) METAP2METAP1MMP9MMP8
SCHEMBL6559295 0.89 METAP2 (0.47) METAP2METAP1ITGB3ITGA2BITGAV
SCHEMBL6560780 0.87 METAP2 (0.40) METAP2METAP1MMP3SMN1; SMN2GPR88
SCHEMBL6560877 0.87 METAP2 (0.47) METAP2METAP1ITGB3ITGA2BITGAV
SCHEMBL6559201 0.86 METAP2 (0.47) METAP2METAP1MMP3SMN1; SMN2GPR88
SCHEMBL6559219 0.86 METAP2 (0.47) METAP2METAP1MMP3SMN1; SMN2GPR88
SCHEMBL6558831 0.85 METAP2 (0.49) METAP2METAP1ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL6560458 0.85 METAP2 (0.46) METAP2METAP1MMP3SMN1; SMN2GPR88
Hydrochloric Acid SCHEMBL6560449 0.85 METAP2 (0.46) METAP2METAP1MMP3SMN1; SMN2GPR88

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 4 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 claimed
US-6423869-B1 BACTERICIDES, ANTIULCER AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-07-23 US claimed
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