SCHEMBL6558918

SCHEMBL6558918

CSC[C@H](N)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 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.47
METAP1 P53582 3/20 0.47
BACE1 P56817 6/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
REN P00797 2/20 0.39
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
PSMB1 P20618 1/20 0.37
SCN9A Q15858 1/20 0.37
MME P08473 1/20 0.37
ERAP2 Q6P179 2/20 0.37
IL1RN P18510 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
CTSD P07339 1/20 0.36

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
SCHEMBL6559229 0.94 METAP2 (0.45) METAP2METAP1BACE1BACE2MMP9
SCHEMBL6558505 0.93 METAP2 (0.46) METAP2METAP1BACE1BACE2ERAP2
SCHEMBL6560842 0.92 METAP2 (0.43) METAP2METAP1BACE1BACE2MMP9
SCHEMBL6558831 0.92 METAP2 (0.49) METAP2METAP1MMP9MMP8
Hydrochloric Acid SCHEMBL6558938 0.91 METAP2 (0.43) METAP2METAP1BACE1BACE2REN
SCHEMBL6558906 0.91 PSMB1 (0.43) METAP2METAP1BACE1BACE2PSMB1
SCHEMBL6559351 0.91 METAP2 (0.45) METAP2METAP1BACE1BACE2MMP9
SCHEMBL6558570 0.90 BACE1 (0.45) METAP2METAP1BACE1BACE2REN
SCHEMBL6558490 0.90 BACE1 (0.49) METAP2METAP1BACE1BACE2ERAP2
SCHEMBL6558594 0.90 METAP2 (0.45) METAP2METAP1BACE1BACE2REN

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