SCHEMBL7424356

SCHEMBL7424356

CC(C)CC(C(=O)O)N(CCc1csc(Cc2cc(Cl)cc(Cl)c2)n1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.36
HDAC6 Q9UBN7 5/20 0.36
GRN P28799 2/20 0.33
SORT1 Q99523 2/20 0.33
SHMT1 P34896 1/20 0.32
SHMT2 P34897 1/20 0.32
ACE2 Q9BYF1 4/20 0.32
ACE P12821 3/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGER1 P34995 1/20 0.31
BCHE P06276 2/20 0.31
MAPT P10636 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
SCHEMBL7417819 0.93 HDAC1 (0.34) HDAC1HDAC6GRNSORT1SHMT1
SCHEMBL7426906 0.89 HDAC1 (0.37) HDAC1HDAC6KMT2ABCHE
SCHEMBL7422281 0.83 SHMT1 (0.39) GRNSORT1SHMT1SHMT2LMNA
SCHEMBL7423323 0.81 BCHE (0.33) HDAC1HDAC6KMT2ABCHE
SCHEMBL7421104 0.81 GRN (0.32) GRNSORT1ACE2ACE
SCHEMBL7419020 0.80 GRN (0.38) GRNSORT1ACE2ACEALDH1A1
SCHEMBL7425812 0.80 GRN (0.33) GRNSORT1ACE2ACE
SCHEMBL7426438 0.79 L3MBTL1 (0.34) HDAC1HDAC6GRNSORT1ALDH1A1
SCHEMBL7382337 0.78 MAPT (0.41) ALDH1A1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL7423907 0.78 SHMT1 (0.56) SHMT1SHMT2RAB9AKMT2ASMN1; SMN2

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