SCHEMBL6558913

SCHEMBL6558913

CN[C@@H](CS)C(=O)N[C@@H](CC(C)C)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 12)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.42
METAP2 P50579 3/20 0.40
METAP1 P53582 3/20 0.40
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
CLPP Q16740 2/20 0.37
PSMB1 P20618 1/20 0.36
GPR88 Q9GZN0 2/20 0.36
REN P00797 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6558821 0.93 METAP2 (0.41) MMEMETAP2METAP1GPR88
SCHEMBL7741834 0.90 CASP3 (0.40) MMEMETAP2METAP1MMP9MMP8
SCHEMBL6559351 0.89 METAP2 (0.45) MMEMETAP2METAP1MMP9MMP8
SCHEMBL6558594 0.88 METAP2 (0.45) MMEMETAP2METAP1MMP9MMP8
SCHEMBL6559229 0.88 METAP2 (0.45) MMEMETAP2METAP1MMP9MMP8
SCHEMBL6558591 0.88 METAP2 (0.45) MMEMETAP2METAP1MMP9MMP8
Hydrochloric Acid SCHEMBL6559256 0.88 METAP2 (0.45) MMEMETAP2METAP1MMP9MMP8
SCHEMBL6559289 0.88 METAP2 (0.41) MMEMETAP2METAP1MMP9MMP8
SCHEMBL6560459 0.87 METAP2 (0.40) MMEMETAP2METAP1MMP9MMP8
SCHEMBL29711383 0.87 METAP2 (0.44) MMEMETAP2METAP1MMP9MMP8

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