SCHEMBL6559302

SCHEMBL6559302

CCC(C)[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 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSD P07339 11/20 0.43
METAP2 P50579 3/20 0.42
METAP1 P53582 3/20 0.42
BACE1 P56817 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
PSMB1 P20618 1/20 0.37
GPR88 Q9GZN0 2/20 0.37

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
SCHEMBL6559308 1.00 CTSD (0.43) CTSDMETAP2METAP1BACE1MMP9
SCHEMBL7787138 0.94 METAP2 (0.43) CTSDMETAP2METAP1GPR88
SCHEMBL6559811 0.93 METAP2 (0.47) METAP2METAP1GPR88
SCHEMBL6559807 0.93 METAP2 (0.47) METAP2METAP1GPR88
SCHEMBL29711383 0.92 METAP2 (0.44) CTSDMETAP2METAP1BACE1MMP9
SCHEMBL6559357 0.92 METAP2 (0.44) CTSDMETAP2METAP1BACE1MMP9
SCHEMBL6560488 0.92 METAP2 (0.44) CTSDMETAP2METAP1BACE1MMP9
SCHEMBL6558968 0.92 CTSD (0.50) CTSD
SCHEMBL6558962 0.92 CTSD (0.50) CTSD
SCHEMBL7784103 0.91 METAP2 (0.42) CTSDMETAP2METAP1BACE1GPR88

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