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SCHEMBL6559358

SCHEMBL6559358

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(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 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 6/20 0.45
▸ BACE1 P56817 8/20 0.44
▸ BACE2 Q9Y5Z0 2/20 0.44
▸ CASP3 P42574 4/20 0.42
▸ CASP8 Q14790 4/20 0.42
▸ CASP1 P29466 3/20 0.42
▸ CASP7 P55210 3/20 0.42
▸ METAP2 P50579 2/20 0.41
▸ METAP1 P53582 2/20 0.41

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
SCHEMBL29711383 0.96 METAP2 (0.44) CTSDBACE1BACE2METAP2METAP1
SCHEMBL6559357 0.96 METAP2 (0.44) CTSDBACE1BACE2METAP2METAP1
SCHEMBL6560488 0.96 METAP2 (0.44) CTSDBACE1BACE2METAP2METAP1
Hydrochloric Acid SCHEMBL6558816 0.95 METAP2 (0.43) CTSDBACE1BACE2METAP2METAP1
SCHEMBL6558968 0.94 CTSD (0.50) CTSD
SCHEMBL6558962 0.94 CTSD (0.50) CTSD
SCHEMBL7741834 0.90 CASP3 (0.40) CTSDBACE1BACE2CASP3CASP8
SCHEMBL6559351 0.89 METAP2 (0.45) CTSDBACE1BACE2METAP2METAP1
SCHEMBL6559251 0.88 METAP2 (0.49) METAP2METAP1
SCHEMBL6559302 0.88 CTSD (0.43) CTSDBACE1METAP2METAP1

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 6 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
JP-11080109-A — — None — — JP disclosed
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
JP-H1180109-A POLYOLS, THEIR PRODUCTION AND USE THEREOF TAKEDA CHEM IND LTD 1999-03-26 — — JP disclosed