SCHEMBL4680395

SCHEMBL4680395

CCOC(=O)[C@H](Cc1ccc2c(c1)NC(=O)[C@H](CCC(=O)O)O2)NC(=O)OCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4679583 1.00 USP2 (0.39) USP2GAAITGB3ITGAVHSD17B10
SCHEMBL8326662 0.93 USP2 (0.37) USP2GAAITGB3ITGAVHSD17B10
SCHEMBL4680620 0.93 ITGB3 (0.43) USP2GAAITGB3ITGAVHSD17B10
SCHEMBL4853017 0.93 ITGB3 (0.43) USP2GAAITGB3ITGAVHSD17B10
SCHEMBL4852776 0.93 ITGB3 (0.43) USP2GAAITGB3ITGAVHSD17B10
SCHEMBL4685497 0.92 USP2 (0.37) USP2GAAITGB3ITGAVHSD17B10
SCHEMBL4683912 0.91 IDO1 (0.40) USP2GAAITGB3HSD17B10ALOX15
SCHEMBL8330384 0.91 IDO1 (0.40) USP2GAAITGB3HSD17B10ALOX15
SCHEMBL4682248 0.85 ITGB3 (0.36) USP2GAAITGB3ITGAVHSD17B10
SCHEMBL14143519 0.85 ITGB3 (0.36) USP2GAAITGB3ITGAVHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594853-B1 METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF MERCK PATENT GMBH (DE) 2008-07-09 EP claimed
EP-1594853-B1 METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF MERCK PATENT GMBH (DE) 2008-07-09 EP disclosed
US-7371854-B2 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-7371854-B2 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MERCK PATENT GMBH (DE) 2008-05-13 US disclosed