SCHEMBL7366599

SCHEMBL7366599

CCCCS(=O)(=O)N[C@@H](Cc1ccc2c(c1)NC(=O)C(CC(=O)O)O2)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
HSD17B10 Q99714 4/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 2/20 0.39
GAA P10253 1/20 0.39
PARP1 P09874 1/20 0.39
THRB P10828 1/20 0.39
ITGAV P06756 1/20 0.39
CHRM2 P08172 1/20 0.39
SLC6A4 P31645 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL7370120 0.90 HSD17B10 (0.41) ITGB3ITGA2BHSD17B10ALOX15MAPK1
SCHEMBL7160796 0.89 ITGB3 (0.48) ITGB3ITGA2BHSD17B10ALOX15USP2
SCHEMBL7478535 0.87 THRB (0.40) ITGB3ITGA2BHSD17B10ALOX15MAPK1
SCHEMBL7364282 0.86 ALOX15 (0.41) ITGB3ITGA2BHSD17B10ALOX15MAPK1
SCHEMBL7371562 0.86 THRB (0.39) ITGB3ITGA2BHSD17B10ALOX15MAPK1
SCHEMBL7479990 0.85 HSD17B10 (0.40) ITGB3ITGA2BHSD17B10ALOX15MAPK1
SCHEMBL7367470 0.85 ITGB3 (0.42) ITGB3ITGA2BHSD17B10ALOX15MAPK1
SCHEMBL7370705 0.84 HSD17B10 (0.46) HSD17B10ALOX15MAPK1HTTL3MBTL1
SCHEMBL7167879 0.84 ITGB3 (0.42) ITGB3ITGA2BHSD17B10ALOX15MAPK1
SCHEMBL7367335 0.83 GAA (0.40) HSD17B10ALOX15MAPK1HTTL3MBTL1

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 3 patents. 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
EP-0964856-A1 BICYCLIC AMINO ACIDS MERCK PATENT GmbH (DE) 1999-12-22 EP disclosed
WO-1998035949-A1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 1998-08-20 WO disclosed