SCHEMBL7424281

SCHEMBL7424281

CC(C)CC(C(=O)O)N(CCc1cccc(OCc2ccccc2Cl)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LNPEP Q9UIQ6 1/20 0.44
MAOB P27338 2/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
ALOX5 P09917 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PTGES O14684 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
MAOA P21397 1/20 0.41
GPR132 Q9UNW8 1/20 0.40
MEN1 O00255 1/20 0.40
SLC26A4 O43511 1/20 0.40
KMT2A Q03164 1/20 0.40
GCK P35557 1/20 0.39

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
SCHEMBL7421892 0.86 NR4A2 (0.51) NR4A2MAOBLTB4RLTB4R2ALOX5
SCHEMBL7424530 0.86 LTB4R (0.44) NR4A2MAOBLTB4RLTB4R2ALOX5
SCHEMBL7424454 0.86 NR4A2 (0.49) NR4A2MAOBLTB4RLTB4R2ALOX5
SCHEMBL7420337 0.83 FAAH (0.42) LTB4RLTB4R2ALOX5PTGESCYSLTR2
SCHEMBL6834465 0.83 LTB4R (0.45) MAOBLTB4RLTB4R2ALOX5PTGES
SCHEMBL7428935 0.82 KEAP1 (0.41) NR4A2LTB4RLTB4R2ALOX5FFAR4
SCHEMBL7427123 0.82 LTB4R (0.44) NR4A2MAOBLTB4RLTB4R2ALOX5
SCHEMBL7426641 0.82 LTB4R (0.47) NPC1LTB4RLTB4R2ALOX5PTGES
SCHEMBL7427483 0.78 SLC1A5 (0.54) MAOBFFAR1FFAR4
SCHEMBL7378945 0.77 MEN1 (0.48) NPC1RAB9AMEN1KMT2A

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 claimed