SCHEMBL6560939

SCHEMBL6560939

COC[C@H](N)C(=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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.41
METAP1 P53582 3/20 0.41
SCN9A Q15858 1/20 0.40
IL1RN P18510 7/20 0.38
BACE1 P56817 3/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
PSMB1 P20618 1/20 0.38
ERAP2 Q6P179 6/20 0.38
REN P00797 2/20 0.38
ERAP1 Q9NZ08 3/20 0.37
GPR88 Q9GZN0 2/20 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
SCHEMBL6559229 0.92 METAP2 (0.45) METAP2METAP1SCN9AIL1RNBACE1
SCHEMBL6559341 0.92 METAP2 (0.44) METAP2METAP1SCN9AGPR88
Hydrochloric Acid SCHEMBL6558938 0.91 METAP2 (0.43) METAP2METAP1SCN9AIL1RNBACE1
SCHEMBL6560842 0.90 METAP2 (0.43) METAP2METAP1SCN9AIL1RNBACE1
Hydrochloric Acid SCHEMBL6559256 0.90 METAP2 (0.45) METAP2METAP1IL1RNBACE1BACE2
SCHEMBL6558606 0.90 PSMB1 (0.43) METAP2METAP1IL1RNBACE1BACE2
Hydrochloric Acid SCHEMBL6560796 0.90 METAP2 (0.43) METAP2METAP1BACE1BACE2PSMB1
SCHEMBL6558906 0.90 PSMB1 (0.43) METAP2METAP1SCN9ABACE1BACE2
SCHEMBL6558918 0.90 METAP2 (0.47) METAP2METAP1SCN9AIL1RNBACE1
SCHEMBL6559351 0.89 METAP2 (0.45) METAP2METAP1IL1RNBACE1BACE2

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