SCHEMBL6558606

SCHEMBL6558606

CC(C)C[C@H](NC(=O)[C@@H](N)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 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 2/20 0.43
IL1RN P18510 4/20 0.42
ERAP2 Q6P179 4/20 0.42
ERAP1 Q9NZ08 4/20 0.42
CTSS P25774 3/20 0.42
CTSL P07711 2/20 0.42
CTSK P43235 1/20 0.42
PSMB11 A5LHX3 1/20 0.40
PSMD11 O00231 1/20 0.40
PSMD12 O00232 1/20 0.40
PSMD14 O00487 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMD3 O43242 1/20 0.40
PSMC3 P17980 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40
PSMA4 P25789 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40

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
SCHEMBL6560569 0.92 METAP2 (0.40) MMEMETAP2METAP1MMP9MMP14
SCHEMBL6560939 0.90 METAP2 (0.41) PSMB1IL1RNERAP2ERAP1BACE1
SCHEMBL6558570 0.89 BACE1 (0.45) BACE1BACE2METAP2METAP1CTSD
SCHEMBL6559229 0.89 METAP2 (0.45) PSMB1IL1RNERAP2ERAP1MME
SCHEMBL6560838 0.89 CTSK (0.52) PSMB1CTSSCTSLCTSKREN
SCHEMBL6560842 0.87 METAP2 (0.43) PSMB1IL1RNERAP2ERAP1MME
SCHEMBL6558918 0.87 METAP2 (0.47) PSMB1IL1RNERAP2ERAP1MME
SCHEMBL6558906 0.87 PSMB1 (0.43) PSMB1BACE1BACE2METAP2METAP1
Hydrochloric Acid SCHEMBL6558938 0.87 METAP2 (0.43) PSMB1IL1RNERAP2ERAP1MME
SCHEMBL6559351 0.86 METAP2 (0.45) PSMB1IL1RNERAP2ERAP1MME

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