SCHEMBL7479990

SCHEMBL7479990

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 3/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 1/20 0.39
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
ITGAV P06756 1/20 0.37
CHRM2 P08172 1/20 0.37
SLC6A4 P31645 1/20 0.37
USP2 O75604 1/20 0.36
ACE P12821 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
BACE1 P56817 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
SCHEMBL7167879 0.95 ITGB3 (0.42) HSD17B10ALOX15MAPK1HTTL3MBTL1
SCHEMBL7364535 0.93 ALOX15 (0.41) HSD17B10ALOX15MAPK1HTTL3MBTL1
SCHEMBL7374585 0.90 MMP2 (0.44) HSD17B10ALOX15MAPK1HTTL3MBTL1
SCHEMBL7364118 0.88 ALOX15 (0.43) HSD17B10ALOX15MAPK1HTTL3MBTL1
SCHEMBL7475931 0.88 ALOX15 (0.42) HSD17B10ALOX15MAPK1HTTL3MBTL1
SCHEMBL7163731 0.86 ITGB3 (0.43) HSD17B10ALOX15MAPK1HTTL3MBTL1
SCHEMBL7365624 0.86 CASP1 (0.41) HSD17B10ALOX15MAPK1HTTL3MBTL1
SCHEMBL7366599 0.85 ITGB3 (0.41) HSD17B10ALOX15MAPK1HTTL3MBTL1
SCHEMBL7479315 0.85 ALOX15 (0.41) HSD17B10ALOX15MAPK1HTTL3MBTL1
SCHEMBL7478564 0.85 ALOX15 (0.44) 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 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