SCHEMBL6558505

SCHEMBL6558505

CSCC[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 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.46
METAP1 P53582 3/20 0.46
BACE1 P56817 7/20 0.40
BACE2 Q9Y5Z0 2/20 0.40
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
PGGT1B P53609 2/20 0.40
CTSB P07858 1/20 0.39
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
ERAP2 Q6P179 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
SCHEMBL6558918 0.93 METAP2 (0.47) METAP2METAP1BACE1BACE2ERAP2
SCHEMBL7785937 0.93 METAP2 (0.46) METAP2METAP1BACE1FNTAFNTB
SCHEMBL6559186 0.92 METAP2 (0.50) METAP2METAP1FNTAFNTBPGGT1B
SCHEMBL7784068 0.91 METAP2 (0.44) METAP2METAP1BACE1FNTAFNTB
SCHEMBL6558490 0.91 BACE1 (0.49) METAP2METAP1BACE1BACE2ERAP2
SCHEMBL6559229 0.90 METAP2 (0.45) METAP2METAP1BACE1BACE2ERAP2
Hydrochloric Acid SCHEMBL6560796 0.90 METAP2 (0.43) METAP2METAP1BACE1BACE2ERAP2
SCHEMBL6559296 0.89 BACE1 (0.44) METAP2METAP1BACE1BACE2
SCHEMBL6558478 0.89 METAP2 (0.42) METAP2METAP1BACE1BACE2ERAP2
SCHEMBL6560842 0.89 METAP2 (0.43) METAP2METAP1BACE1BACE2ERAP2

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