SCHEMBL7425812

SCHEMBL7425812

CC(C)CC(C(=O)O)N(CCc1nc(Cc2cc(Cl)cc(Cl)c2)co1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.33
SORT1 Q99523 3/20 0.33
ACE2 Q9BYF1 4/20 0.32
ACE P12821 3/20 0.32
NR4A2 P43354 1/20 0.31

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
SCHEMBL7421104 0.93 GRN (0.32) GRNSORT1ACE2ACENR4A2
SCHEMBL7425444 0.89 NR4A2 (0.32) NR4A2
SCHEMBL7425006 0.84 NR4A2 (0.36) GRNSORT1NR4A2
SCHEMBL7429286 0.82 NR4A2 (0.31) NR4A2
SCHEMBL7417819 0.80 HDAC1 (0.34) GRNSORT1ACE2ACE
SCHEMBL7423853 0.80 PPARA (0.35) GRNSORT1NR4A2
SCHEMBL7419020 0.80 GRN (0.38) GRNSORT1ACE2ACE
SCHEMBL7424356 0.80 HDAC1 (0.36) GRNSORT1ACE2ACE
SCHEMBL7430634 0.78 AOC3 (0.39) GRNSORT1
SCHEMBL7419073 0.76 MEN1 (0.33) NR4A2

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