SCHEMBL6559733

SCHEMBL6559733

CC(C)C[C@H](N)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 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.48
METAP1 P53582 3/20 0.48
SCN9A Q15858 1/20 0.46
LARS1 Q9P2J5 2/20 0.40
GPR88 Q9GZN0 4/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
LTA4H P09960 1/20 0.36
ANPEP P15144 1/20 0.36
PTPN1 P18031 1/20 0.36
CDC25A P30304 1/20 0.36
DUSP3 P51452 1/20 0.36
BACE1 P56817 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
Hydrochloric Acid SCHEMBL6559799 0.99 METAP2 (0.47) METAP2METAP1SCN9ALARS1GPR88
SCHEMBL6560489 0.93 METAP2 (0.47) METAP2METAP1SCN9ALARS1GPR88
SCHEMBL6559036 0.92 METAP2 (0.40) METAP2METAP1SCN9AGPR88ALDH1A1
SCHEMBL6559229 0.91 METAP2 (0.45) METAP2METAP1SCN9ABACE1
SCHEMBL6558906 0.91 PSMB1 (0.43) METAP2METAP1SCN9ABACE1
SCHEMBL6559295 0.90 METAP2 (0.47) METAP2METAP1GPR88
Hydrochloric Acid SCHEMBL6560650 0.90 METAP2 (0.45) METAP2METAP1SCN9ALARS1GPR88
SCHEMBL6560842 0.90 METAP2 (0.43) METAP2METAP1SCN9ABACE1
SCHEMBL6559201 0.89 METAP2 (0.47) METAP2METAP1GPR88ALDH1A1LMNA
SCHEMBL6559219 0.89 METAP2 (0.47) METAP2METAP1GPR88ALDH1A1LMNA

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