SCHEMBL7469657

SCHEMBL7469657

CCOC(=O)[C@H](Cc1ccc2c(c1)NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)O2)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 2/20 0.40
CCKAR P32238 1/20 0.40
CCKBR P32239 1/20 0.40
TDO2 P48775 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSL P07711 1/20 0.39
CTSK P43235 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB9 P28065 1/20 0.39

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
SCHEMBL7364118 0.94 ALOX15 (0.43) MAPK1ITGB3ITGA2BALOX15HTT
SCHEMBL7163527 0.94 MAPT (0.46) MAPTKLK7KLK5MAPK1POLB
SCHEMBL7361913 0.92 ALOX15 (0.40) MAPK1ITGB3ITGA2BALOX15HTT
SCHEMBL7479315 0.91 ALOX15 (0.41) MAPK1ITGB3ALOX15HTTHSD17B10
SCHEMBL7363235 0.89 KLK5 (0.42) KLK7KLK5ALOX15HSD17B10IDO1
SCHEMBL7169944 0.86 IDO1 (0.48) ITGB3ITGA2BIDO1TDO2CTSL
SCHEMBL7478564 0.86 ALOX15 (0.44) MAPTMAPK1ALOX15HTTHSD17B10
SCHEMBL7364535 0.86 ALOX15 (0.41) MAPTMAPK1ITGB3ITGA2BALOX15
SCHEMBL7374585 0.86 MMP2 (0.44) MAPTMAPK1ITGB3ITGA2BALOX15
SCHEMBL7169155 0.85 ITGB3 (0.46) ITGB3ITGA2BIDO1TDO2CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0964856-B1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 2002-10-09 EP disclosed