SCHEMBL6559186

SCHEMBL6559186

CSCC[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 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.50
METAP1 P53582 3/20 0.50
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
PGGT1B P53609 3/20 0.39
CTSC P53634 2/20 0.37
MMP2 P08253 3/20 0.34
MMP3 P08254 2/20 0.34

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
SCHEMBL7785937 0.95 METAP2 (0.46) METAP2METAP1FNTAFNTBPGGT1B
SCHEMBL7784068 0.93 METAP2 (0.44) METAP2METAP1FNTAFNTBPGGT1B
SCHEMBL6558505 0.92 METAP2 (0.46) METAP2METAP1FNTAFNTBPGGT1B
SCHEMBL6558831 0.92 METAP2 (0.49) METAP2METAP1MMP2MMP3
SCHEMBL6559321 0.91 METAP2 (0.42) METAP2METAP1FNTAFNTBPGGT1B
SCHEMBL6560877 0.90 METAP2 (0.47) METAP2METAP1MMP2MMP3
SCHEMBL6559017 0.89 METAP2 (0.47) METAP2METAP1MMP2MMP3
SCHEMBL7741760 0.89 METAP2 (0.47) METAP2METAP1MMP2MMP3
SCHEMBL6559295 0.88 METAP2 (0.47) METAP2METAP1MMP3
Hydrochloric Acid SCHEMBL6558826 0.87 METAP2 (0.45) METAP2METAP1MMP3

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