SCHEMBL6559807

SCHEMBL6559807

CCC(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 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.47
METAP1 P53582 3/20 0.47
GPR88 Q9GZN0 10/20 0.41
MMP2 P08253 3/20 0.37
MMP3 P08254 2/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6559811 1.00 METAP2 (0.47) METAP2METAP1GPR88MMP2MMP3
SCHEMBL7787138 0.95 METAP2 (0.43) METAP2METAP1GPR88MMP2MMP3
SCHEMBL7784098 0.93 METAP2 (0.42) METAP2METAP1GPR88
SCHEMBL6559302 0.93 CTSD (0.43) METAP2METAP1GPR88
SCHEMBL7784103 0.93 METAP2 (0.42) METAP2METAP1GPR88
SCHEMBL6559308 0.93 CTSD (0.43) METAP2METAP1GPR88
SCHEMBL6559251 0.91 METAP2 (0.49) METAP2METAP1GPR88MMP2MMP3
SCHEMBL6559216 0.90 METAP2 (0.40) METAP2METAP1GPR88MMP2MMP3
SCHEMBL6559210 0.90 METAP2 (0.40) METAP2METAP1GPR88MMP2MMP3
SCHEMBL6559201 0.89 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