SCHEMBL6559341

SCHEMBL6559341

COC[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 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.44
METAP1 P53582 3/20 0.44
GPR88 Q9GZN0 9/20 0.39
MMP2 P08253 4/20 0.39
MMP3 P08254 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN9A Q15858 1/20 0.37
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 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
SCHEMBL6560939 0.92 METAP2 (0.41) METAP2METAP1GPR88SCN9A
Hydrochloric Acid SCHEMBL6560458 0.90 METAP2 (0.46) METAP2METAP1GPR88MMP2MMP3
Hydrochloric Acid SCHEMBL6560449 0.90 METAP2 (0.46) METAP2METAP1GPR88MMP2MMP3
SCHEMBL6559295 0.89 METAP2 (0.47) METAP2METAP1GPR88MMP3SMN1; SMN2
SCHEMBL6560586 0.89 METAP2 (0.42) METAP2METAP1GPR88MMP2MMP3
SCHEMBL6559219 0.89 METAP2 (0.47) METAP2METAP1GPR88MMP2MMP3
SCHEMBL6559201 0.89 METAP2 (0.47) METAP2METAP1GPR88MMP2MMP3
Hydrochloric Acid SCHEMBL6559799 0.88 METAP2 (0.47) METAP2METAP1GPR88SCN9A
SCHEMBL6558831 0.88 METAP2 (0.49) METAP2METAP1GPR88MMP2MMP3
SCHEMBL6560877 0.87 METAP2 (0.47) METAP2METAP1GPR88MMP2MMP3

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