SCHEMBL6560586

SCHEMBL6560586

CC(C)(C)OC[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 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.42
METAP1 P53582 3/20 0.42
SCN9A Q15858 1/20 0.37
CYP26A1 O43174 1/20 0.36
MMP2 P08253 6/20 0.36
MMP3 P08254 4/20 0.36
RIPK1 Q13546 1/20 0.35
GPR88 Q9GZN0 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6559341 0.89 METAP2 (0.44) METAP2METAP1SCN9AMMP2MMP3
SCHEMBL6559295 0.87 METAP2 (0.47) METAP2METAP1CYP26A1MMP3GPR88
SCHEMBL6559219 0.86 METAP2 (0.47) METAP2METAP1MMP2MMP3RIPK1
SCHEMBL6559201 0.86 METAP2 (0.47) METAP2METAP1MMP2MMP3RIPK1
Hydrochloric Acid SCHEMBL6560458 0.85 METAP2 (0.46) METAP2METAP1MMP2MMP3RIPK1
Hydrochloric Acid SCHEMBL6560449 0.85 METAP2 (0.46) METAP2METAP1MMP2MMP3RIPK1
SCHEMBL6558831 0.85 METAP2 (0.49) METAP2METAP1CYP26A1MMP2MMP3
SCHEMBL6560877 0.85 METAP2 (0.47) METAP2METAP1MMP2MMP3GPR88
SCHEMBL6560569 0.85 METAP2 (0.40) METAP2METAP1SMN1; SMN2
SCHEMBL6559017 0.84 METAP2 (0.47) METAP2METAP1MMP2MMP3GPR88

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