SCHEMBL6560459

SCHEMBL6560459

CNCC(=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 20)

geneUniProtsupporting neighboursconfidence
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
PSMB5 P28074 2/20 0.38
REN P00797 2/20 0.38
CTSD P07339 1/20 0.37
CLPP Q16740 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PSMB1 P20618 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MME P08473 1/20 0.36
PTPN1 P18031 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
SCHEMBL6559318 0.90 METAP2 (0.42) METAP2METAP1MMP9MMP8MMP14
SCHEMBL6559289 0.88 METAP2 (0.41) METAP2METAP1MMP9MMP8MMP14
SCHEMBL6558913 0.87 MME (0.42) METAP2METAP1MMP9MMP8MMP14
SCHEMBL6559351 0.87 METAP2 (0.45) METAP2METAP1MMP9MMP8MMP14
SCHEMBL6560879 0.86 METAP2 (0.40) METAP2METAP1MMP9MMP8MMP14
SCHEMBL7741834 0.86 CASP3 (0.40) METAP2METAP1MMP9MMP8MMP14
SCHEMBL6559229 0.86 METAP2 (0.45) METAP2METAP1MMP9MMP8MMP14
Hydrochloric Acid SCHEMBL6559256 0.86 METAP2 (0.45) METAP2METAP1MMP9MMP8MMP14
SCHEMBL6558591 0.86 METAP2 (0.45) METAP2METAP1MMP9MMP8MMP14
SCHEMBL6558594 0.86 METAP2 (0.45) METAP2METAP1MMP9MMP8MMP14

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