SCHEMBL6560569

SCHEMBL6560569

N[C@@H](COCc1ccccc1)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 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.40
METAP1 P53582 3/20 0.40
SLC1A1 P43005 1/20 0.38
MME P08473 1/20 0.38
LTA4H P09960 2/20 0.36
TACR1 P25103 2/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
FOLH1 Q04609 1/20 0.35
TLR2 O60603 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
SCHEMBL6558606 0.92 PSMB1 (0.43) METAP2METAP1MMEMMP9MMP14
SCHEMBL6559341 0.87 METAP2 (0.44) METAP2METAP1MMP9MMP14SMN1; SMN2
SCHEMBL6559305 0.87 METAP2 (0.43) METAP2METAP1LTA4H
SCHEMBL6559295 0.87 METAP2 (0.47) METAP2METAP1MMP9SMN1; SMN2
SCHEMBL6560877 0.85 METAP2 (0.47) METAP2METAP1MMP9SMN1; SMN2
SCHEMBL6560586 0.85 METAP2 (0.42) METAP2METAP1SMN1; SMN2
SCHEMBL6559219 0.84 METAP2 (0.47) METAP2METAP1SMN1; SMN2
SCHEMBL6559201 0.84 METAP2 (0.47) METAP2METAP1SMN1; SMN2
Hydrochloric Acid SCHEMBL6560458 0.83 METAP2 (0.46) METAP2METAP1SMN1; SMN2
Hydrochloric Acid SCHEMBL6560449 0.83 METAP2 (0.46) METAP2METAP1SMN1; SMN2

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