SCHEMBL7422281

SCHEMBL7422281

CC(C)CC(C(=O)O)N(CCc1csc(-c2cc(Cl)cc(Cl)c2)n1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 5/20 0.39
SHMT2 P34897 3/20 0.39
LMNA P02545 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 6/20 0.35
MAPT P10636 6/20 0.35
TLR7 Q9NYK1 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL7426729 0.88 TP53 (0.39) SHMT1SHMT2LMNATP53MAPT
SCHEMBL1655299 0.86 ATM (0.46) LMNATP53MAPT
SCHEMBL7423907 0.85 SHMT1 (0.56) SHMT1SHMT2MAPTTLR7
SCHEMBL7425245 0.85 HSD17B10 (0.39) SHMT1SHMT2LMNATP53MAPT
SCHEMBL7424356 0.83 HDAC1 (0.36) SHMT1SHMT2LMNAL3MBTL1MAPT
SCHEMBL7426438 0.81 L3MBTL1 (0.34) LMNAL3MBTL1MAPTGRNSORT1
SCHEMBL7423853 0.80 PPARA (0.35) GRNSORT1
SCHEMBL7417819 0.80 HDAC1 (0.34) SHMT1SHMT2MAPTGRNSORT1
SCHEMBL7382337 0.79 MAPT (0.41) LMNAMAPT
SCHEMBL7420766 0.79 ALDH1A1 (0.47) SHMT1SHMT2LMNATP53MAPT

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