SCHEMBL7417819

SCHEMBL7417819

CC(C)CC(C(=O)O)N(CCc1nc(Cc2cc(Cl)cc(Cl)c2)cs1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.34
HDAC6 Q9UBN7 4/20 0.34
GRN P28799 2/20 0.33
SORT1 Q99523 2/20 0.33
SHMT1 P34896 2/20 0.32
SHMT2 P34897 1/20 0.32
ACE2 Q9BYF1 4/20 0.32
ACE P12821 3/20 0.32
BCHE P06276 2/20 0.31
MAPT P10636 1/20 0.31
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7424356 0.93 HDAC1 (0.36) HDAC1HDAC6GRNSORT1SHMT1
SCHEMBL7423323 0.88 BCHE (0.33) HDAC1HDAC6BCHEMEN1KMT2A
SCHEMBL7426438 0.84 L3MBTL1 (0.34) HDAC1HDAC6GRNSORT1MAPT
SCHEMBL7426906 0.81 HDAC1 (0.37) HDAC1HDAC6BCHEMEN1KMT2A
SCHEMBL7419020 0.81 GRN (0.38) GRNSORT1ACE2ACE
SCHEMBL7425812 0.80 GRN (0.33) GRNSORT1ACE2ACE
SCHEMBL7422281 0.80 SHMT1 (0.39) GRNSORT1SHMT1SHMT2MAPT
SCHEMBL7421104 0.80 GRN (0.32) GRNSORT1ACE2ACE
SCHEMBL7430634 0.78 AOC3 (0.39) GRNSORT1
SCHEMBL7426730 0.77 AOC3 (0.43) MEN1KMT2A

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