SCHEMBL7425531

SCHEMBL7425531

CC(C)CC(N[C@@H](Cc1cccc(OCc2csc3ccc(Cl)cc23)c1)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
MAPT P10636 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MAPK1 P28482 1/20 0.39
PTPN1 P18031 5/20 0.39
PTPN2 P17706 4/20 0.39
CDC25B P30305 4/20 0.39
PTPN6 P29350 3/20 0.39
GPR132 Q9UNW8 2/20 0.39
FOLH1 Q04609 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
PKM P14618 1/20 0.38
GPR34 Q9UPC5 2/20 0.37

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
SCHEMBL5870047 1.00 MME (0.42) MMEACECPA1ACE2MAPT
SCHEMBL5869800 1.00 MME (0.42) MMEACECPA1ACE2MAPT
SCHEMBL5869794 1.00 MME (0.42) MMEACECPA1ACE2MAPT
SCHEMBL8248789 0.90 KEAP1 (0.43) MAPTKEAP1NFE2L2PTPN1PTPN2
SCHEMBL5869605 0.90 KEAP1 (0.43) MAPTKEAP1NFE2L2PTPN1PTPN2
SCHEMBL8255067 0.86 KEAP1 (0.44) ACEACE2MAPTKEAP1NFE2L2
SCHEMBL8249919 0.84 MAPT (0.43) MMEACECPA1ACE2MAPT
SCHEMBL5870095 0.84 MAPT (0.43) MMEACECPA1ACE2MAPT
SCHEMBL22491224 0.84 PTGDR2 (0.36) MMEACECPA1ACE2MAPT
SCHEMBL22491217 0.84 PGR (0.39) MMEACECPA1ACE2MAPT

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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed