SCHEMBL6559289

SCHEMBL6559289

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)C(=O)N[C@@H](CC(=O)O)c1ccccc1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.41
METAP1 P53582 2/20 0.41
REN P00797 4/20 0.41
ALDH1A1 P00352 1/20 0.41
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
CLPP Q16740 2/20 0.39
CPA1 P15085 2/20 0.38
CPA2 P48052 2/20 0.38
CPA4 Q9UI42 2/20 0.38
CPB1 P15086 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
PSMB1 P20618 2/20 0.38
MME P08473 1/20 0.38
KMT2A Q03164 1/20 0.37
PSMB11 A5LHX3 1/20 0.37
PSMD11 O00231 1/20 0.37
PSMD12 O00232 1/20 0.37
PSMD14 O00487 1/20 0.37

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
SCHEMBL6559294 0.90 REN (0.42) METAP2METAP1RENALDH1A1MMP9
SCHEMBL6559351 0.89 METAP2 (0.45) METAP2METAP1MMP9MMP8MMP14
SCHEMBL6559229 0.89 METAP2 (0.45) METAP2METAP1MMP9MMP8MMP14
Hydrochloric Acid SCHEMBL6559256 0.89 METAP2 (0.45) METAP2METAP1MMP9MMP8MMP14
SCHEMBL6559318 0.89 METAP2 (0.42) METAP2METAP1RENALDH1A1MMP9
SCHEMBL6558594 0.89 METAP2 (0.45) METAP2METAP1RENMMP9MMP8
SCHEMBL6558591 0.89 METAP2 (0.45) METAP2METAP1RENMMP9MMP8
SCHEMBL6560459 0.88 METAP2 (0.40) METAP2METAP1RENALDH1A1MMP9
SCHEMBL6558913 0.88 MME (0.42) METAP2METAP1RENALDH1A1MMP9
SCHEMBL29711383 0.88 METAP2 (0.44) METAP2METAP1MMP9MMP8MMP14

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